N-[(phenylmethyl)carbamoyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[(phenylmethyl)carbamoyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(benzylcarbamoyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(benzylcarbamoyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H24N6O2S MolecularWeight: 424.51926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C21H24N6O2S/c1-3-13-27-18(17-9-11-22-12-10-17)25-26-21(27)30-15(2)19(28)24-20(29)23-14-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H2,23,24,28,29)