2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C19H15ClN3O2S- MolecularWeight: 384.8593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O2S/c1-12-7-8-14(9-15(12)20)21-18(25)11-26-19-22-16(10-17(24)23-19)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,25)(H,22,23,24)/p-1