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

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-olate Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-6-(p-tolylsulfanylmethyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-6-[[(4-methylphenyl)thio]methyl]-4-pyrimidinolate IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-6-[(p-tolylthio)methyl]pyrimidin-4-olate Formula: C21H20N3O2S2- MolecularWeight: 410.5324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])CSC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])CSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O2S2/c1-14-3-7-16(8-4-14)22-20(26)13-28-21-23-17(11-19(25)24-21)12-27-18-9-5-15(2)6-10-18/h3-11H,12-13H2,1-2H3,(H,22,26)(H,23,24,25)/p-1