2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C23H31BrN4OS MolecularWeight: 491.48744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H31BrN4OS/c24-18-14-12-17(13-15-18)22-26-27-23(28(22)20-10-6-3-7-11-20)30-16-21(29)25-19-8-4-1-2-5-9-19/h12-15,19-20H,1-11,16H2,(H,25,29)