[2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C20H16BrN3O3S MolecularWeight: 458.32834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H16BrN3O3S/c1-13-10-23-18(11-22-13)20(26)27-12-19(25)24-15-4-8-17(9-5-15)28-16-6-2-14(21)3-7-16/h2-11H,12H2,1H3,(H,24,25)