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

Systemtic Name: (2S)-2-ethanimidoyl-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)[C@H](C#N)C(=N)C)C

InChI

InChI=1S/C16H17N5OS/c1-10-6-4-5-7-14(10)21-12(3)19-20-16(21)23-9-15(22)13(8-17)11(2)18/h4-7,13,18H,9H2,1-3H3/t13-/m1/s1