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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chlorobenzyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C15H17ClN4OS MolecularWeight: 336.83968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)SC2=NNC(=N2)C3CC3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1Cl)SC2=NNC(=N2)C3CC3

InChI

InChI=1S/C15H17ClN4OS/c1-9(22-15-18-13(19-20-15)10-6-7-10)14(21)17-8-11-4-2-3-5-12(11)16/h2-5,9-10H,6-8H2,1H3,(H,17,21)(H,18,19,20)