Sodium (6R,7S)-7-[(1-Benzylpyridin-4-Ylidene)Amino]-3-[(2-Methyl-5,6-Dioxo-1H-1,2,4-Triazin-3-Yl)Sulfanylmethyl]-8-Oxo-5-Thia-1-Azabicyclo[4 .2.0]Oct-2-Ene-2-Carboxylate
[CAS# 104023-63-4]

Identification

• Name: Sodium (6R,7S)-7-[(1-Benzylpyridin-4-Ylidene)Amino]-3-[(2-Methyl-5,6-Dioxo-1H-1,2,4-Triazin-3-Yl)Sulfanylmethyl]-8-Oxo-5-Thia-1-Azabicyclo[4 .2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: Sodium (6R,7S)-3-[(2-Methyl-5,6-Dioxo-1H-1,2,4-Triazin-3-Yl)Sulfanylmethyl]-8-Oxo-7-[[1-(Phenylmethyl)-4-Pyridylidene]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7S)-3-[[(2-Methyl-5,6-Dioxo-1H-1,2,4-Triazin-3-Yl)Thio]Methyl]-8-Oxo-7-[[1-(Phenylmethyl)-4-Pyridylidene]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7S)-7-[[1-(Benzyl)-4-Pyridylidene]Amino]-3-[[(5,6-Diketo-2-Methyl-1H-1,2,4-Triazin-3-Yl)Thio]Methyl]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₂₄H₂₁N₆NaO₅S₂
• Molecular Weight: 560.58
• CAS Registry Number: 104023-63-4
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@@H]2[N-]C3=CC=[N+](C=C3)CC4=CC=CC=C4)C([O-])=O)CSC5=NC(=O)C(=O)NN5C.[Na+]
• InChI: 1S/C24H22N6O5S2.Na/c1-28-24(26-19(31)20(32)27-28)37-13-15-12-36-22-17(21(33)30(22)18(15)23(34)35)25-16-7-9-29(10-8-16)11-14-5-3-2-4-6-14;/h2-10,17,22H,11-13H2,1H3,(H2,27,32,34,35);/q;+1/p-1/t17-,22+;/m0./s1
• InChIKey: YKOVSJKTMQYZAG-OTCZLQCGSA-M