N-(2-bromanyl-4-methyl-phenyl)-2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[4-(2-methylcyclohexyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H26BrN5OS MolecularWeight: 500.45444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)C)Br)C4=CN=CC=C4

Isomeric SMILES

CC1CCCCC1N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)C)Br)C4=CN=CC=C4

InChI

InChI=1S/C23H26BrN5OS/c1-15-9-10-19(18(24)12-15)26-21(30)14-31-23-28-27-22(17-7-5-11-25-13-17)29(23)20-8-4-3-6-16(20)2/h5,7,9-13,16,20H,3-4,6,8,14H2,1-2H3,(H,26,30)