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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC(=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC(=CC=C3)C)Br

InChI

InChI=1S/C18H17BrN4OS/c1-11-4-3-5-13(8-11)17-21-18(23-22-17)25-10-16(24)20-15-7-6-12(2)9-14(15)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22,23)