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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H19BrN4O2S2 MolecularWeight: 515.44586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CS4

InChI

InChI=1S/C22H19BrN4O2S2/c1-14-12-15(23)5-10-18(14)24-20(28)13-31-22-26-25-21(19-4-3-11-30-19)27(22)16-6-8-17(29-2)9-7-16/h3-12H,13H2,1-2H3,(H,24,28)