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

Systemtic Name: N-(4-bromophenyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H23BrN4OS MolecularWeight: 471.41322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN4OS/c23-17-11-13-18(14-12-17)24-20(28)15-29-22-26-25-21(16-7-3-1-4-8-16)27(22)19-9-5-2-6-10-19/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,24,28)