2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: 2-[[5-(4-bromophenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C22H25BrN4O2S MolecularWeight: 489.4285

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1C2=CC=C(C=C2)OCC)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCNC(=O)C(C)SC1=NN=C(N1C2=CC=C(C=C2)OCC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN4O2S/c1-4-14-24-21(28)15(3)30-22-26-25-20(16-6-8-17(23)9-7-16)27(22)18-10-12-19(13-11-18)29-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,24,28)