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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-[(cyclohexylamino)-oxomethyl]acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)acetamide Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(cyclohexylcarbamoyl)acetamide Formula: C17H20BrN5O2S MolecularWeight: 438.342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN5O2S/c18-13-9-5-4-8-12(13)15-21-17(23-22-15)26-10-14(24)20-16(25)19-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,21,22,23)(H2,19,20,24,25)