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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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