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

Systemtic Name: (4Z)-4-(4-anthracen-1-yl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[4-(1-anthryl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[4-(1-anthracenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-(4-anthracen-1-yl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[4-(1-anthryl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C22H15N3O2S MolecularWeight: 385.4384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C=CC=C3N4C(=C5C=CC(=O)C=C5O)NNC4=S

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)C=CC=C3N4/C(=C/5\C=CC(=O)C=C5O)/NNC4=S

InChI

InChI=1S/C22H15N3O2S/c26-16-8-9-17(20(27)12-16)21-23-24-22(28)25(21)19-7-3-6-15-10-13-4-1-2-5-14(13)11-18(15)19/h1-12,23,27H,(H,24,28)/b21-17+