2-[(3-chlorophenyl)methylsulfanyl]-6-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-[2-(methylthio)anilino]-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-keto-2-[2-(methylthio)anilino]ethyl]pyrimidin-4-olate Formula: C20H17ClN3O2S2- MolecularWeight: 430.95088

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

InChI

InChI=1S/C20H18ClN3O2S2/c1-27-17-8-3-2-7-16(17)23-18(25)10-15-11-19(26)24-20(22-15)28-12-13-5-4-6-14(21)9-13/h2-9,11H,10,12H2,1H3,(H,23,25)(H,22,24,26)/p-1