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

Systemtic Name: (2S)-2-ethanimidoyl-4-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-3-oxo-4-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C20H24N6OS MolecularWeight: 396.50916

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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)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[C@H](C#N)C(=N)C)N3CCCCC3

InChI

InChI=1S/C20H24N6OS/c1-14-6-8-16(9-7-14)26-19(25-10-4-3-5-11-25)23-24-20(26)28-13-18(27)17(12-21)15(2)22/h6-9,17,22H,3-5,10-11,13H2,1-2H3/t17-/m1/s1