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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chlorobenzyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1Cl)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H21ClN4OS/c1-14(20(27)23-13-16-7-5-6-10-18(16)22)28-21-25-24-19(15-11-12-15)26(21)17-8-3-2-4-9-17/h2-10,14-15H,11-13H2,1H3,(H,23,27)