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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)propanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)propanamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)propanamide IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)propanamide Traditional Name: N-(m-tolyl)-2-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3S/c1-17-7-6-10-21(13-17)27-25(31)18(2)34-26-29-28-24(20-8-4-3-5-9-20)30(26)15-19-11-12-22-23(14-19)33-16-32-22/h3-14,18H,15-16H2,1-2H3,(H,27,31)