3-[(2-bromophenyl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(2-bromophenyl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(2-bromophenyl)methylsulfanyl]-4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(2-bromophenyl)methylthio]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(2-bromophenyl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(2-bromobenzyl)thio]-4-cyclopropyl-5-(2-thenyl)-1,2,4-triazole Formula: C17H16BrN3S2 MolecularWeight: 406.36304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=CC=C3Br)CC4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=CC=C3Br)CC4=CC=CS4

InChI

InChI=1S/C17H16BrN3S2/c18-15-6-2-1-4-12(15)11-23-17-20-19-16(21(17)13-7-8-13)10-14-5-3-9-22-14/h1-6,9,13H,7-8,10-11H2