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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C15H13BrN4OS2 MolecularWeight: 409.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CS3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CS3)Br

InChI

InChI=1S/C15H13BrN4OS2/c1-9-7-10(4-5-11(9)16)17-13(21)8-23-15-18-14(19-20-15)12-3-2-6-22-12/h2-7H,8H2,1H3,(H,17,21)(H,18,19,20)