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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

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