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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O2S/c1-11-9-13(5-8-15(11)19)20-16(24)10-26-18-21-17(22-23-18)12-3-6-14(25-2)7-4-12/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22,23)