N-(1,3-benzodioxol-5-ylmethyl)-2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]-N-piperonyl-acetamide Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H24N4O3S/c1-17-3-8-20(9-4-17)25-26(21-10-5-18(2)6-11-21)30-31-27(29-25)35-15-24(32)28-14-19-7-12-22-23(13-19)34-16-33-22/h3-13H,14-16H2,1-2H3,(H,28,32)