3-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NNC(=S)N2N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NNC(=S)N2N)C#N

InChI

InChI=1S/C9H7N5S/c10-5-6-2-1-3-7(4-6)8-12-13-9(15)14(8)11/h1-4H,11H2,(H,13,15)