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

Systemtic Name: 4-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-(3-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C18H19ClN6OS MolecularWeight: 402.90106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)N3CCCC3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)N3CCCC3

InChI

InChI=1S/C18H19ClN6OS/c1-12(21)15(10-20)16(26)11-27-18-23-22-17(24-7-2-3-8-24)25(18)14-6-4-5-13(19)9-14/h4-6,9,15,21H,2-3,7-8,11H2,1H3