ethyl 2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-pyridine-3-carboxylate Openeye Name: ethyl 2-amino-6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-cyano-pyridine-3-carboxylate CAS Name: 2-amino-6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-cyano-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-cyanopyridine-3-carboxylate Traditional Name: 2-amino-6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-cyano-nicotinic acid ethyl ester Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)C2=CC=C(C=C2)Br)N

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)C2=CC=C(C=C2)Br)N

InChI

InChI=1S/C17H14BrN3O3S/c1-2-24-17(23)13-7-11(8-19)16(21-15(13)20)25-9-14(22)10-3-5-12(18)6-4-10/h3-7H,2,9H2,1H3,(H2,20,21)