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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1CCCCC1NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H21BrN4OS/c1-11-4-2-3-5-14(11)19-15(23)10-24-17-20-16(21-22-17)12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,19,23)(H,20,21,22)