[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C15H10BrN3O3S MolecularWeight: 392.2272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C15H10BrN3O3S/c16-12-6-11(23-9-17)3-4-13(12)19-14(20)8-22-15(21)10-2-1-5-18-7-10/h1-7H,8H2,(H,19,20)