2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate Openeye Name: 2-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate CAS Name: 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]-6-(4-methoxyphenyl)-4-pyrimidinolate IUPAC Name: 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate Traditional Name: 2-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-6-(4-methoxyphenyl)pyrimidin-4-olate Formula: C20H17ClN3O3S- MolecularWeight: 414.88528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18ClN3O3S/c1-12-15(21)4-3-5-16(12)22-19(26)11-28-20-23-17(10-18(25)24-20)13-6-8-14(27-2)9-7-13/h3-10H,11H2,1-2H3,(H,22,26)(H,23,24,25)/p-1