2-[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C19H13ClN3O3S- MolecularWeight: 398.84282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CSC3=NC=CC(=N3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CSC3=NC=CC(=N3)[O-]

InChI

InChI=1S/C19H14ClN3O3S/c20-13-6-7-15(14(10-13)18(26)12-4-2-1-3-5-12)22-17(25)11-27-19-21-9-8-16(24)23-19/h1-10H,11H2,(H,22,25)(H,21,23,24)/p-1