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

Systemtic Name: N-(3-bromophenyl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-bromophenyl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-bromophenyl)-2-[(4-cyclohexyl-5-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)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H23BrN4OS/c23-17-10-7-11-18(14-17)24-20(28)15-29-22-26-25-21(16-8-3-1-4-9-16)27(22)19-12-5-2-6-13-19/h1,3-4,7-11,14,19H,2,5-6,12-13,15H2,(H,24,28)