3-(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile

Systemtic Name: 3-(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile Openeye Name: 3-(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)propanenitrile CAS Name: 3-(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile IUPAC Name: 3-(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile Traditional Name: 3-(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)propionitrile Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C17H14N4S/c18-12-7-13-20-17(22)21(15-10-5-2-6-11-15)16(19-20)14-8-3-1-4-9-14/h1-6,8-11H,7,13H2