N-(4-bromanyl-2-propan-2-yl-phenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-propan-2-yl-phenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-isopropyl-phenyl)-2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-isopropyl-phenyl)-2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)Br)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)Br)C(C)C

InChI

InChI=1S/C20H21BrN4OS/c1-12(2)16-10-15(21)7-8-17(16)22-18(26)11-27-20-23-19(24-25-20)14-6-4-5-13(3)9-14/h4-10,12H,11H2,1-3H3,(H,22,26)(H,23,24,25)