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

Systemtic Name: 2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-propanamide Openeye Name: 2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-propanamide CAS Name: 2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-cyclohexylpropanamide IUPAC Name: 2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide Traditional Name: 2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-propionamide Formula: C23H26ClN5OS MolecularWeight: 456.00344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SC(C)C(=O)NC3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SC(C)C(=O)NC3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C23H26ClN5OS/c1-15-19(24)9-6-10-20(15)29-21(17-11-13-25-14-12-17)27-28-23(29)31-16(2)22(30)26-18-7-4-3-5-8-18/h6,9-14,16,18H,3-5,7-8H2,1-2H3,(H,26,30)