[2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C19H15BrN4O3S MolecularWeight: 459.3164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=NC=CN=C2N)SC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=NC=CN=C2N)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H15BrN4O3S/c20-12-1-5-14(6-2-12)28-15-7-3-13(4-8-15)24-16(25)11-27-19(26)17-18(21)23-10-9-22-17/h1-10H,11H2,(H2,21,23)(H,24,25)