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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C15H14ClN5OS MolecularWeight: 347.82256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H14ClN5OS/c1-9(18)12(7-17)13(22)8-23-15-20-19-14(21(15)2)10-3-5-11(16)6-4-10/h3-6,12,18H,8H2,1-2H3