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

Systemtic Name: N-(4-methylphenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: N-(4-methylphenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-methylphenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-18-13-15-20(16-14-18)26-24(30)19(2)32-25-28-27-23(17-31-22-11-7-4-8-12-22)29(25)21-9-5-3-6-10-21/h3-16,19H,17H2,1-2H3,(H,26,30)