(E)-3-[2-(4-bromophenyl)sulfanylpyridin-3-yl]-N-(4-oxidanylcyclohexyl)prop-2-enamide

Systemtic Name: (E)-3-[2-(4-bromophenyl)sulfanylpyridin-3-yl]-N-(4-oxidanylcyclohexyl)prop-2-enamide Openeye Name: (E)-3-[2-(4-bromophenyl)sulfanyl-3-pyridyl]-N-(4-hydroxycyclohexyl)prop-2-enamide CAS Name: (E)-3-[2-[(4-bromophenyl)thio]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-2-propenamide IUPAC Name: (E)-3-[2-(4-bromophenyl)sulfanylpyridin-3-yl]-N-(4-hydroxycyclohexyl)prop-2-enamide Traditional Name: (E)-3-[2-[(4-bromophenyl)thio]-3-pyridyl]-N-(4-hydroxycyclohexyl)acrylamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC(=O)C=CC2=C(N=CC=C2)SC3=CC=C(C=C3)Br)O

Isomeric SMILES

C1CC(CCC1NC(=O)/C=C/C2=C(N=CC=C2)SC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H21BrN2O2S/c21-15-4-10-18(11-5-15)26-20-14(2-1-13-22-20)3-12-19(25)23-16-6-8-17(24)9-7-16/h1-5,10-13,16-17,24H,6-9H2,(H,23,25)/b12-3+