2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-phenyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-phenyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-6-oxo-3-phenyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]-6-keto-3-phenyl-pyrimidin-4-olate Formula: C25H19ClN3O3S- MolecularWeight: 476.95466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N(C(=NC2=O)SCC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N(C(=NC2=O)SCC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H20ClN3O3S/c26-18-11-13-19(14-12-18)27-22(30)16-33-25-28-23(31)21(15-17-7-3-1-4-8-17)24(32)29(25)20-9-5-2-6-10-20/h1-14,32H,15-16H2,(H,27,30)/p-1