4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C19H20ClN5OS MolecularWeight: 401.913

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2CCCC2)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2CCCC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H20ClN5OS/c1-12(22)15(10-21)17(26)11-27-19-24-23-18(14-8-4-5-9-16(14)20)25(19)13-6-2-3-7-13/h4-5,8-9,13,15,22H,2-3,6-7,11H2,1H3