N-(3-chloranyl-4-cyano-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H22ClN5OS MolecularWeight: 403.92888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C19H22ClN5OS/c1-12(18(26)22-15-9-8-14(11-21)17(20)10-15)27-19-24-23-13(2)25(19)16-6-4-3-5-7-16/h8-10,12,16H,3-7H2,1-2H3,(H,22,26)