2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-3-(o-tolyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-3-(2-methylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-3-(2-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]-6-keto-3-(o-tolyl)pyrimidin-4-olate Formula: C19H15ClN3O3S- MolecularWeight: 400.8587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C19H16ClN3O3S/c1-12-4-2-3-5-15(12)23-18(26)10-16(24)22-19(23)27-11-17(25)21-14-8-6-13(20)7-9-14/h2-10,26H,11H2,1H3,(H,21,25)/p-1