4-[3-bromanyl-6-cyclopropyl-2-[2-(4-methoxyphenyl)sulfanylethanoyl]pyridin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[3-bromanyl-6-cyclopropyl-2-[2-(4-methoxyphenyl)sulfanylethanoyl]pyridin-4-yl]benzenecarbonitrile Openeye Name: 4-[3-bromo-6-cyclopropyl-2-[2-(4-methoxyphenyl)sulfanylacetyl]-4-pyridyl]benzonitrile CAS Name: 4-[3-bromo-6-cyclopropyl-2-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-4-pyridinyl]benzonitrile IUPAC Name: 4-[3-bromo-6-cyclopropyl-2-[2-(4-methoxyphenyl)sulfanylacetyl]pyridin-4-yl]benzonitrile Traditional Name: 4-[3-bromo-6-cyclopropyl-2-[2-[(4-methoxyphenyl)thio]acetyl]-4-pyridyl]benzonitrile Formula: C24H19BrN2O2S MolecularWeight: 479.38886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)C2=C(C(=CC(=N2)C3CC3)C4=CC=C(C=C4)C#N)Br

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)C2=C(C(=CC(=N2)C3CC3)C4=CC=C(C=C4)C#N)Br

InChI

InChI=1S/C24H19BrN2O2S/c1-29-18-8-10-19(11-9-18)30-14-22(28)24-23(25)20(12-21(27-24)17-6-7-17)16-4-2-15(13-26)3-5-16/h2-5,8-12,17H,6-7,14H2,1H3