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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N4O3S/c1-16-3-7-18(8-4-16)24-27-28-25(29(24)20-10-5-17(2)6-11-20)33-14-23(30)26-19-9-12-21-22(13-19)32-15-31-21/h3-13H,14-15H2,1-2H3,(H,26,30)