N-[(2-methoxyphenyl)methyl]-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(2-methoxyphenyl)methyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(2-methoxyphenyl)methyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-o-anisyl-propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1OC)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c1-15(19(26)22-14-17-10-6-7-11-18(17)28-2)29-21-24-23-20(27)25(21)13-12-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,26)(H,23,27)