N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(4-methylphenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(4-methylphenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(4-methylphenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(4-methylphenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-piperonyl-acetamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CN5C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CN5C

InChI

InChI=1S/C25H25N5O3S/c1-17-5-8-19(9-6-17)30-23(13-20-4-3-11-29(20)2)27-28-25(30)34-15-24(31)26-14-18-7-10-21-22(12-18)33-16-32-21/h3-12H,13-16H2,1-2H3,(H,26,31)