3-[(3-bromophenyl)methylsulfanyl]-5-(4,5-dimethylthiophen-3-yl)-4-ethyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4,5-dimethylthiophen-3-yl)-4-ethyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4,5-dimethyl-3-thienyl)-4-ethyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4,5-dimethyl-3-thiophenyl)-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4,5-dimethylthiophen-3-yl)-4-ethyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(4,5-dimethyl-3-thienyl)-4-ethyl-1,2,4-triazole Formula: C17H18BrN3S2 MolecularWeight: 408.37892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CSC(=C3C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CSC(=C3C)C

InChI

InChI=1S/C17H18BrN3S2/c1-4-21-16(15-10-22-12(3)11(15)2)19-20-17(21)23-9-13-6-5-7-14(18)8-13/h5-8,10H,4,9H2,1-3H3