2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C19H16N3O2S- MolecularWeight: 350.41424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O2S/c1-13-7-9-15(10-8-13)20-18(24)12-25-19-21-16(11-17(23)22-19)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,24)(H,21,22,23)/p-1