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

Systemtic Name: (2S)-4-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-4-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C17H18ClN5OS MolecularWeight: 375.87572

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C(C#N)C(=N)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)[C@H](C#N)C(=N)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClN5OS/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/h4-7,14,20H,3,8,10H2,1-2H3/t14-/m1/s1