6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-5-(phenylcarbamoyl)pyridin-2-olate

Systemtic Name: 6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-5-(phenylcarbamoyl)pyridin-2-olate Openeye Name: 6-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-4-methyl-5-(phenylcarbamoyl)pyridin-2-olate CAS Name: 5-[anilino(oxo)methyl]-6-[[2-(4-bromoanilino)-2-oxoethyl]thio]-4-methyl-2-pyridinolate IUPAC Name: 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-5-(phenylcarbamoyl)pyridin-2-olate Traditional Name: 6-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-4-methyl-5-(phenylcarbamoyl)pyridin-2-olate Formula: C21H17BrN3O3S- MolecularWeight: 471.34698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)NC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)NC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C21H18BrN3O3S/c1-13-11-17(26)25-21(19(13)20(28)24-15-5-3-2-4-6-15)29-12-18(27)23-16-9-7-14(22)8-10-16/h2-11H,12H2,1H3,(H,23,27)(H,24,28)(H,25,26)/p-1