4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-[(4-chlorophenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one

Systemtic Name: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-[(4-chlorophenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one Openeye Name: 4-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-6-[(4-chlorophenyl)methyl]-3-thioxo-2H-1,2,4-triazin-5-one CAS Name: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-[(4-chlorophenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one IUPAC Name: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-[(4-chlorophenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-chlorobenzyl)-4-[(E)-piperonylideneamino]-3-thioxo-2H-1,2,4-triazin-5-one Formula: C18H13ClN4O3S MolecularWeight: 400.83882

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NN3C(=O)C(=NNC3=S)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/N3C(=O)C(=NNC3=S)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H13ClN4O3S/c19-13-4-1-11(2-5-13)7-14-17(24)23(18(27)22-21-14)20-9-12-3-6-15-16(8-12)26-10-25-15/h1-6,8-9H,7,10H2,(H,22,27)/b20-9+