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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3S/c1-17-7-10-20(11-8-17)29-24(18-5-3-2-4-6-18)27-28-25(29)33-14-13-23(30)26-19-9-12-21-22(15-19)32-16-31-21/h2-12,15H,13-14,16H2,1H3,(H,26,30)