4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-phenyl-butanenitrile

Systemtic Name: 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-phenyl-butanenitrile CAS Name: 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-oxo-2-phenylbutanenitrile IUPAC Name: 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-phenylbutanenitrile Traditional Name: 3-keto-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-phenyl-butyronitrile Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H16N4OS/c1-14-21-22-19(23(14)16-10-6-3-7-11-16)25-13-18(24)17(12-20)15-8-4-2-5-9-15/h2-11,17H,13H2,1H3