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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide Traditional Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyridyl)acetamide Formula: C18H16BrN5OS MolecularWeight: 430.32154

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN5OS/c1-2-11-24-17(13-6-8-14(19)9-7-13)22-23-18(24)26-12-16(25)21-15-5-3-4-10-20-15/h2-10H,1,11-12H2,(H,20,21,25)