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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)-N-methyl-ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)-N-methylacetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C18H21BrN6OS MolecularWeight: 449.36794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NN=C(N1N)C2=CC=CC=C2Br)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)CSC1=NN=C(N1N)C2=CC=CC=C2Br)C3(CCCCC3)C#N

InChI

InChI=1S/C18H21BrN6OS/c1-24(18(12-20)9-5-2-6-10-18)15(26)11-27-17-23-22-16(25(17)21)13-7-3-4-8-14(13)19/h3-4,7-8H,2,5-6,9-11,21H2,1H3