5-(3,4-Dimethoxyphenyl)-2H-Tetrazole-2-Acetic Acid 2-((Phenylamino)Thioxomethyl)Hydrazide
[CAS# 94771-94-5]

Identification

• Name: 5-(3,4-Dimethoxyphenyl)-2H-Tetrazole-2-Acetic Acid 2-((Phenylamino)Thioxomethyl)Hydrazide
• Synonyms: 3-[[2-[5-(3,4-Dimethoxyphenyl)Tetrazol-2-Yl]Acetyl]Amino]-1-Phenyl-Thiourea; 3-[[2-[5-(3,4-Dimethoxyphenyl)-2-Tetrazolyl]-1-Oxoethyl]Amino]-1-Phenylthiourea; 3-[2-[5-(3,4-Dimethoxyphenyl)-1,2,3,4-Tetrazol-2-Yl]Ethanoylamino]-1-Phenyl-Thiourea
• Molecular Formula: C₁₈H₁₉N₇O₃S
• Molecular Weight: 413.45
• CAS Registry Number: 94771-94-5
• SMILES: C3=C(C1=N[N](N=N1)CC(=O)NNC(=S)NC2=CC=CC=C2)C=CC(=C3OC)OC
• InChI: 1S/C18H19N7O3S/c1-27-14-9-8-12(10-15(14)28-2)17-21-24-25(23-17)11-16(26)20-22-18(29)19-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,26)(H2,19,22,29)
• InChIKey: OXDSEFQDFWEXEU-UHFFFAOYSA-N

Properties

• Density: 1.411g/cm³ (Cal.)