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

Systemtic Name: 2-[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-olate Openeye Name: 2-[2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-(p-tolylsulfanylmethyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]thio]-6-[[(4-methylphenyl)thio]methyl]-4-pyrimidinolate IUPAC Name: 2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-olate Traditional Name: 2-[[2-(4-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-6-[(p-tolylthio)methyl]pyrimidin-4-olate Formula: C21H19ClN3O2S2- MolecularWeight: 444.97746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=NC(=N2)SCC(=O)NC3=C(C=C(C=C3)Cl)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=NC(=N2)SCC(=O)NC3=C(C=C(C=C3)Cl)C)[O-]

InChI

InChI=1S/C21H20ClN3O2S2/c1-13-3-6-17(7-4-13)28-11-16-10-19(26)25-21(23-16)29-12-20(27)24-18-8-5-15(22)9-14(18)2/h3-10H,11-12H2,1-2H3,(H,24,27)(H,23,25,26)/p-1