N-Propyl-N-[2-(2,4,6-Trichlorophenoxy)Ethyl]-1H-Imidazole-1-Carboxamide - 2H-1,2-Thiazocine (1:1)
[CAS# 136958-25-3]

Identification

• Name: N-Propyl-N-[2-(2,4,6-Trichlorophenoxy)Ethyl]-1H-Imidazole-1-Carboxamide - 2H-1,2-Thiazocine (1:1)
• Synonyms: thiazocin A
• Molecular Formula: C₂₁H₂₃Cl₃N₄O₂S
• Molecular Weight: 501.86
• CAS Registry Number: 136958-25-3
• SMILES: CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2.c\1c\cc/s[nH]\cc1
• InChI: 1S/C15H16Cl3N3O2.C6H7NS/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;1-2-4-6-8-7-5-3-1/h3,5,8-10H,2,4,6-7H2,1H3;1-7H/b;2-1-,5-3-,6-4-
• InChIKey: GDJCCWYJFUSODN-RIISYZCKSA-N

Properties

• Refractive index: (Cal.)