S-(5-azanyl-1H-1,2,4-triazol-3-yl) benzenecarbothioate

Systemtic Name: S-(5-azanyl-1H-1,2,4-triazol-3-yl) benzenecarbothioate Openeye Name: S-(5-amino-1H-1,2,4-triazol-3-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(5-amino-1H-1,2,4-triazol-3-yl) ester IUPAC Name: S-(5-amino-1H-1,2,4-triazol-3-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(5-amino-1H-1,2,4-triazol-3-yl) ester Formula: C9H8N4OS MolecularWeight: 220.25102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=NNC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=NNC(=N2)N

InChI

InChI=1S/C9H8N4OS/c10-8-11-9(13-12-8)15-7(14)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13)