[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]acetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C17H11BrN4O3S MolecularWeight: 431.26324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N)Br

InChI

InChI=1S/C17H11BrN4O3S/c18-13-3-1-10(2-4-13)14(23)8-25-15(24)9-26-17-12(7-20)5-11(6-19)16(21)22-17/h1-5H,8-9H2,(H2,21,22)