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

Systemtic Name: 1-(3-bromophenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-bromophenyl)ethanone CAS Name: 1-(3-bromophenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-bromophenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-(3-bromophenyl)ethanone Formula: C18H16BrN3OS2 MolecularWeight: 434.37314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)Br)CC3=CC=CS3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)Br)CC3=CC=CS3

InChI

InChI=1S/C18H16BrN3OS2/c1-2-8-22-17(11-15-7-4-9-24-15)20-21-18(22)25-12-16(23)13-5-3-6-14(19)10-13/h2-7,9-10H,1,8,11-12H2