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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 3-hydroxy-4-(4-piperonyl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=C4C=CC(=O)C=C4O)NNC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C4C=CC(=O)C=C4O)NNC3=S

InChI

InChI=1S/C16H13N3O4S/c20-10-2-3-11(12(21)6-10)15-17-18-16(24)19(15)7-9-1-4-13-14(5-9)23-8-22-13/h1-6,17,21H,7-8H2,(H,18,24)