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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-piperonyl-acetamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3S/c30-22(26-14-17-11-12-20-21(13-17)32-16-31-20)15-33-25-27-23(18-7-3-1-4-8-18)24(28-29-25)19-9-5-2-6-10-19/h1-13H,14-16H2,(H,26,30)