2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C24H22BrN5OS MolecularWeight: 508.43338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4)C

InChI

InChI=1S/C24H22BrN5OS/c1-3-17-7-4-6-16(2)22(17)27-21(31)15-32-24-29-28-23(18-8-5-13-26-14-18)30(24)20-11-9-19(25)10-12-20/h4-14H,3,15H2,1-2H3,(H,27,31)