(4Z)-3-oxidanyl-4-(4-pyren-1-yl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-3-oxidanyl-4-(4-pyren-1-yl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-3-hydroxy-4-(4-pyren-1-yl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: (4Z)-3-hydroxy-4-[4-(1-pyrenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-3-hydroxy-4-(4-pyren-1-yl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: (4Z)-3-hydroxy-4-(4-pyren-1-yl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C24H15N3O2S MolecularWeight: 409.4598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N5C(=C6C=CC(=O)C=C6O)NNC5=S

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N5/C(=C/6\C=CC(=O)C=C6O)/NNC5=S

InChI

InChI=1S/C24H15N3O2S/c28-16-8-10-18(20(29)12-16)23-25-26-24(30)27(23)19-11-7-15-5-4-13-2-1-3-14-6-9-17(19)22(15)21(13)14/h1-12,25,29H,(H,26,30)/b23-18+