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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H22ClFN4OS MolecularWeight: 396.909883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClFN4OS/c1-11(17(25)21-13-8-9-16(20)15(19)10-13)26-18-23-22-12(2)24(18)14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,21,25)