2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C19H17BrN2OS MolecularWeight: 401.32008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN2OS/c20-16-8-6-13(7-9-16)18(23)12-24-19-15(11-21)10-14-4-2-1-3-5-17(14)22-19/h6-10H,1-5,12H2