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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H31BrN4OS/c1-27-22(17-12-14-18(24)15-13-17)25-26-23(27)30-16-21(29)28(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h12-15,19-20H,2-11,16H2,1H3