6-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-one

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-one Openeye Name: 6-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-3-thioxo-2H-1,2,4-triazin-5-one CAS Name: 6-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-one IUPAC Name: 6-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-one Traditional Name: 4-phenyl-6-piperonyl-3-thioxo-2H-1,2,4-triazin-5-one Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=NNC(=S)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=NNC(=S)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C17H13N3O3S/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)18-19-17(24)20(16)12-4-2-1-3-5-12/h1-7,9H,8,10H2,(H,19,24)