4-[1-(hydroxymethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[1-(hydroxymethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[1-(hydroxymethyl)-4-phenyl-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[1-(hydroxymethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[1-(hydroxymethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-(1-methylol-4-phenyl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C3C=CC(=O)C=C3)NN(C2=S)CO

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C3C=CC(=O)C=C3)NN(C2=S)CO

InChI

InChI=1S/C15H13N3O2S/c19-10-17-15(21)18(12-4-2-1-3-5-12)14(16-17)11-6-8-13(20)9-7-11/h1-9,16,19H,10H2