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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-methylacetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methylacetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-methyl-acetamide Formula: C17H22BrN5OS MolecularWeight: 424.35848

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CN(C1CCCCC1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C17H22BrN5OS/c1-22(12-7-3-2-4-8-12)15(24)11-25-17-21-20-16(23(17)19)13-9-5-6-10-14(13)18/h5-6,9-10,12H,2-4,7-8,11,19H2,1H3