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

Systemtic Name: 1-(4-bromophenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone Formula: C18H15BrN4OS MolecularWeight: 415.3069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CN=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CN=CC=C3

InChI

InChI=1S/C18H15BrN4OS/c1-2-10-23-17(14-4-3-9-20-11-14)21-22-18(23)25-12-16(24)13-5-7-15(19)8-6-13/h2-9,11H,1,10,12H2