[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C14H9BrN4O3S MolecularWeight: 393.21526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC#N)Br)NC(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

C1=CC(=C(C=C1SC#N)Br)NC(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C14H9BrN4O3S/c15-10-5-9(23-8-16)1-2-11(10)19-13(20)7-22-14(21)12-6-17-3-4-18-12/h1-6H,7H2,(H,19,20)