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

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarbonitrile Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]benzonitrile CAS Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]benzonitrile IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]benzonitrile Traditional Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]benzonitrile Formula: C9H7N5S MolecularWeight: 217.25038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)SC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=CC=C1C#N)SC2=NNC(=N2)N

InChI

InChI=1S/C9H7N5S/c10-5-6-1-3-7(4-2-6)15-9-12-8(11)13-14-9/h1-4H,(H3,11,12,13,14)