2-[4-(4-bromophenyl)-3-cyano-5-oxidanylidene-indeno[1,2-b]pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(4-bromophenyl)-3-cyano-5-oxidanylidene-indeno[1,2-b]pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(4-bromophenyl)-3-cyano-5-oxo-indeno[1,2-b]pyridin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(4-bromophenyl)-3-cyano-5-oxo-2-indeno[1,2-b]pyridinyl]thio]acetic acid IUPAC Name: 2-[4-(4-bromophenyl)-3-cyano-5-oxoindeno[1,2-b]pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(4-bromophenyl)-3-cyano-5-keto-indeno[1,2-b]pyridin-2-yl]thio]acetic acid Formula: C21H11BrN2O3S MolecularWeight: 451.29264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C2=O)C(=C(C(=N3)SCC(=O)O)C#N)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C2=O)C(=C(C(=N3)SCC(=O)O)C#N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H11BrN2O3S/c22-12-7-5-11(6-8-12)17-15(9-23)21(28-10-16(25)26)24-19-13-3-1-2-4-14(13)20(27)18(17)19/h1-8H,10H2,(H,25,26)