2-(1,3-benzodioxol-5-yl)-N-[[4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[[4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[[4-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]acetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]acetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[[5-(benzylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]acetamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H24N4O4S/c1-32-21-10-8-20(9-11-21)30-24(28-29-26(30)35-16-18-5-3-2-4-6-18)15-27-25(31)14-19-7-12-22-23(13-19)34-17-33-22/h2-13H,14-17H2,1H3,(H,27,31)