N-(4-methylphenyl)-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-methylphenyl)-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 3-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: N-(4-methylphenyl)-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-methylphenyl)-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H21N5OS/c1-17-7-9-19(10-8-17)25-21(29)13-16-30-23-27-26-22(18-11-14-24-15-12-18)28(23)20-5-3-2-4-6-20/h2-12,14-15H,13,16H2,1H3,(H,25,29)