N-[(2-chlorophenyl)methyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chlorobenzyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H21ClN4OS MolecularWeight: 364.89284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)SC2=NNC(=N2)C3CCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1Cl)SC2=NNC(=N2)C3CCCC3

InChI

InChI=1S/C17H21ClN4OS/c1-11(16(23)19-10-13-8-4-5-9-14(13)18)24-17-20-15(21-22-17)12-6-2-3-7-12/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,19,23)(H,20,21,22)