2-[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,4-dichloroanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(2,4-dichloroanilino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C18H12Cl2N3O2S- MolecularWeight: 405.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Cl2N3O2S/c19-12-6-7-14(13(20)8-12)21-17(25)10-26-18-22-15(9-16(24)23-18)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,23,24)/p-1