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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-(4-piperonyl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S/c20-12-4-2-1-3-11(12)15-17-18-16(23)19(15)8-10-5-6-13-14(7-10)22-9-21-13/h1-7,17H,8-9H2,(H,18,23)