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

Systemtic Name: 3-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenecarbonitrile Openeye Name: 3-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzonitrile CAS Name: 3-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzonitrile IUPAC Name: 3-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzonitrile Traditional Name: 3-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzonitrile Formula: C12H10N4S MolecularWeight: 242.2996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC1C2=NNC(=S)N2C3=CC=CC(=C3)C#N

InChI

InChI=1S/C12H10N4S/c13-7-8-2-1-3-10(6-8)16-11(9-4-5-9)14-15-12(16)17/h1-3,6,9H,4-5H2,(H,15,17)