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

Systemtic Name: (2R)-2-ethanimidoyl-4-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-ethanimidoyl-3-oxo-4-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: (2R)-2-(1-iminoethyl)-4-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: (2R)-2-ethanimidoyl-4-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-3-keto-4-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C19H22N6OS MolecularWeight: 382.48258

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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)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[C@@H](C#N)C(=N)C)N3CCCC3

InChI

InChI=1S/C19H22N6OS/c1-13-5-7-15(8-6-13)25-18(24-9-3-4-10-24)22-23-19(25)27-12-17(26)16(11-20)14(2)21/h5-8,16,21H,3-4,9-10,12H2,1-2H3/t16-/m0/s1