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

Systemtic Name: 2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-olate Openeye Name: 2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-6-(p-tolylsulfanylmethyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-6-[[(4-methylphenyl)thio]methyl]-4-pyrimidinolate IUPAC Name: 2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-olate Traditional Name: 2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-6-[(p-tolylthio)methyl]pyrimidin-4-olate Formula: C22H22N3O2S2- MolecularWeight: 424.55898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])CSC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])CSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H23N3O2S2/c1-3-16-6-8-17(9-7-16)23-21(27)14-29-22-24-18(12-20(26)25-22)13-28-19-10-4-15(2)5-11-19/h4-12H,3,13-14H2,1-2H3,(H,23,27)(H,24,25,26)/p-1