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

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic 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(=C(C=C1SC#N)Br)NC(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

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

InChI

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