6-[4-(1,3-benzodioxol-5-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-4-chloro-cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-4-chloro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-4-chlorocyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-(4-piperonyl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=C4C=C(C=CC4=O)Cl)NNC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C4C=C(C=CC4=O)Cl)NNC3=S

InChI

InChI=1S/C16H12ClN3O3S/c17-10-2-3-12(21)11(6-10)15-18-19-16(24)20(15)7-9-1-4-13-14(5-9)23-8-22-13/h1-6,18H,7-8H2,(H,19,24)