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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-(3-methoxypropyl)acetamide Formula: C22H25BrN4O2S MolecularWeight: 489.4285

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

COCCCNC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN4O2S/c1-29-15-5-13-24-20(28)16-30-22-26-25-21(18-8-10-19(23)11-9-18)27(22)14-12-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H,24,28)