2-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C13H11BrN3O2S- MolecularWeight: 353.21434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C13H12BrN3O2S/c1-8-6-9(14)2-3-10(8)16-12(19)7-20-13-15-5-4-11(18)17-13/h2-6H,7H2,1H3,(H,16,19)(H,15,17,18)/p-1