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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H16ClN5OS/c1-3-8-23-16(12-4-6-13(18)7-5-12)21-22-17(23)25-10-15(24)14(9-19)11(2)20/h3-7,14,20H,1,8,10H2,2H3