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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C25H26BrN5OS MolecularWeight: 524.47584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H26BrN5OS/c26-20-14-12-19(13-15-20)24-28-29-25(31(24)22-10-5-2-6-11-22)33-18-23(32)30(17-7-16-27)21-8-3-1-4-9-21/h1,3-4,8-9,12-15,22H,2,5-7,10-11,17-18H2