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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-ethyl-5-methyl-thiophen-3-yl)-4-propyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-ethyl-5-methyl-3-thienyl)-4-propyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-ethyl-5-methyl-3-thiophenyl)-4-propyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-ethyl-5-methylthiophen-3-yl)-4-propyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(4-ethyl-5-methyl-3-thienyl)-4-propyl-1,2,4-triazole Formula: C19H22BrN3S2 MolecularWeight: 436.43208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CSC(=C3CC)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CSC(=C3CC)C

InChI

InChI=1S/C19H22BrN3S2/c1-4-10-23-18(17-12-24-13(3)16(17)5-2)21-22-19(23)25-11-14-6-8-15(20)9-7-14/h6-9,12H,4-5,10-11H2,1-3H3