3-[2,2-bis(bromanyl)cyclohexyl]-1-methyl-5-(2-pent-3-ynylphenyl)pyridine-4-thione

Systemtic Name: 3-[2,2-bis(bromanyl)cyclohexyl]-1-methyl-5-(2-pent-3-ynylphenyl)pyridine-4-thione Openeye Name: 3-(2,2-dibromocyclohexyl)-1-methyl-5-(2-pent-3-ynylphenyl)pyridine-4-thione CAS Name: 3-(2,2-dibromocyclohexyl)-1-methyl-5-(2-pent-3-ynylphenyl)-4-pyridinethione IUPAC Name: 3-(2,2-dibromocyclohexyl)-1-methyl-5-(2-pent-3-ynylphenyl)pyridine-4-thione Traditional Name: 3-(2,2-dibromocyclohexyl)-1-methyl-5-(2-pent-3-ynylphenyl)pyridine-4-thione Formula: C23H25Br2NS MolecularWeight: 507.3243

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCC1=CC=CC=C1C2=CN(C=C(C2=S)C3CCCCC3(Br)Br)C

Isomeric SMILES

CC#CCCC1=CC=CC=C1C2=CN(C=C(C2=S)C3CCCCC3(Br)Br)C

InChI

InChI=1S/C23H25Br2NS/c1-3-4-5-10-17-11-6-7-12-18(17)19-15-26(2)16-20(22(19)27)21-13-8-9-14-23(21,24)25/h6-7,11-12,15-16,21H,5,8-10,13-14H2,1-2H3