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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylcyclohexyl)ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-methylcyclohexyl)acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-methylcyclohexyl)acetamide Formula: C17H21BrN4OS MolecularWeight: 409.34384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CC1CCC(CC1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C17H21BrN4OS/c1-11-6-8-12(9-7-11)19-15(23)10-24-17-20-16(21-22-17)13-4-2-3-5-14(13)18/h2-5,11-12H,6-10H2,1H3,(H,19,23)(H,20,21,22)