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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C17H21BrN4OS/c18-14-9-5-4-8-13(14)16-20-17(22-21-16)24-11-15(23)19-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,23)(H,20,21,22)