1,5-dimethyl-4-[[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]-2-phenyl-pyrazol-3-one Openeye Name: 4-[[(E)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-mercaptomethyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=C3C=CC(=O)C=C3O)S

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C(=C\3/C=CC(=O)C=C3O)/S

InChI

InChI=1S/C18H17N3O3S/c1-11-16(19-17(25)14-9-8-13(22)10-15(14)23)18(24)21(20(11)2)12-6-4-3-5-7-12/h3-10,19,23,25H,1-2H3/b17-14+