1-(azepan-1-yl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H29BrN4OS MolecularWeight: 477.46086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H29BrN4OS/c23-18-12-10-17(11-13-18)21-24-25-22(27(21)19-8-4-3-5-9-19)29-16-20(28)26-14-6-1-2-7-15-26/h10-13,19H,1-9,14-16H2