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

Systemtic Name: N-(3-bromophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-bromophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-bromophenyl)-2-[[4-methyl-5-(p-tolyl)-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)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)Br

InChI

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