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

Systemtic Name: [2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C19H14BrN3O3S MolecularWeight: 444.30176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=NC=CN=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=NC=CN=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H14BrN3O3S/c20-13-1-5-15(6-2-13)27-16-7-3-14(4-8-16)23-18(24)12-26-19(25)17-11-21-9-10-22-17/h1-11H,12H2,(H,23,24)