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

Systemtic Name: (4Z)-2,5-dimethyl-4-(4-naphthalen-1-yl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-3-hydroxy-2,5-dimethyl-4-[4-(1-naphthyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (4Z)-3-hydroxy-2,5-dimethyl-4-[4-(1-naphthalenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-3-hydroxy-2,5-dimethyl-4-(4-naphthalen-1-yl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: (4Z)-3-hydroxy-2,5-dimethyl-4-[4-(1-naphthyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(C1=C2NNC(=S)N2C3=CC=CC4=CC=CC=C43)O)C

Isomeric SMILES

CC\1=CC(=O)C(=C(/C1=C/2\NNC(=S)N2C3=CC=CC4=CC=CC=C43)O)C

InChI

InChI=1S/C20H17N3O2S/c1-11-10-16(24)12(2)18(25)17(11)19-21-22-20(26)23(19)15-9-5-7-13-6-3-4-8-14(13)15/h3-10,21,25H,1-2H3,(H,22,26)/b19-17+