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

Systemtic Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[[5-(1-benzimidazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)acetamide Formula: C19H17BrN6OS MolecularWeight: 457.34688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)CN3C=NC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C19H17BrN6OS/c1-25-17(10-26-12-21-15-4-2-3-5-16(15)26)23-24-19(25)28-11-18(27)22-14-8-6-13(20)7-9-14/h2-9,12H,10-11H2,1H3,(H,22,27)