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

Systemtic Name: 2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propanamide Openeye Name: 2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propanamide CAS Name: 2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-cyclopentylpropanamide IUPAC Name: 2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide Traditional Name: 2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-cyclopentyl-propionamide Formula: C22H24ClN5OS MolecularWeight: 441.97686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SC(C)C(=O)NC3CCCC3)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SC(C)C(=O)NC3CCCC3)C4=CC=NC=C4

InChI

InChI=1S/C22H24ClN5OS/c1-14-18(23)8-5-9-19(14)28-20(16-10-12-24-13-11-16)26-27-22(28)30-15(2)21(29)25-17-6-3-4-7-17/h5,8-13,15,17H,3-4,6-7H2,1-2H3,(H,25,29)