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

Systemtic Name: (2S)-2-ethanimidoyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-3-oxo-4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C15H15N5OS MolecularWeight: 313.3775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C15H15N5OS/c1-9-3-5-11(6-4-9)14-18-15(20-19-14)22-8-13(21)12(7-16)10(2)17/h3-6,12,17H,8H2,1-2H3,(H,18,19,20)/t12-/m1/s1