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

Systemtic Name: 4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C14H12ClN5OS MolecularWeight: 333.79598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=CN1C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=CN1C2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H12ClN5OS/c1-9(17)12(6-16)13(21)7-22-14-19-18-8-20(14)11-4-2-3-10(15)5-11/h2-5,8,12,17H,7H2,1H3