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

Systemtic Name: (2S)-2-ethanimidoyl-4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-3-oxo-4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C(C#N)C(=N)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[C@H](C#N)C(=N)C)C3=CC=CC=C3

InChI

InChI=1S/C21H19N5OS/c1-14-8-10-17(11-9-14)26-20(16-6-4-3-5-7-16)24-25-21(26)28-13-19(27)18(12-22)15(2)23/h3-11,18,23H,13H2,1-2H3/t18-/m1/s1