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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H22BrN5OS MolecularWeight: 460.39058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC(C)C)C3=CC=NC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC(C)C)C3=CC=NC=C3)Br

InChI

InChI=1S/C20H22BrN5OS/c1-13(2)11-26-19(15-6-8-22-9-7-15)24-25-20(26)28-12-18(27)23-17-5-4-14(3)10-16(17)21/h4-10,13H,11-12H2,1-3H3,(H,23,27)