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

Systemtic Name: 2-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-chloroanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(3-chloroanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(3-chloroanilino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C18H13ClN3O2S- MolecularWeight: 370.83272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC(=CC=C3)Cl)[O-]

InChI

InChI=1S/C18H14ClN3O2S/c19-13-7-4-8-14(9-13)20-17(24)11-25-18-21-15(10-16(23)22-18)12-5-2-1-3-6-12/h1-10H,11H2,(H,20,24)(H,21,22,23)/p-1