3-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-propanamide

Systemtic Name: 3-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-propanamide Openeye Name: 3-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridyl)propanamide CAS Name: 3-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridinyl)propanamide IUPAC Name: 3-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylpropanamide Traditional Name: 3-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyridyl)propionamide Formula: C19H18BrN5OS MolecularWeight: 444.34812

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN5OS/c1-2-12-25-18(14-6-8-15(20)9-7-14)23-24-19(25)27-13-10-17(26)22-16-5-3-4-11-21-16/h2-9,11H,1,10,12-13H2,(H,21,22,26)