2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyldiazenylphenyl)ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyldiazenylphenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylazophenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-phenyldiazenylphenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-phenylazophenyl)acetamide Formula: C16H15N7OS MolecularWeight: 353.4016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C16H15N7OS/c17-15-19-16(23-22-15)25-10-14(24)18-11-6-8-13(9-7-11)21-20-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,24)(H3,17,19,22,23)