3-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4,5-diphenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4,5-diphenyl-1,2,4-triazole Formula: C21H16BrN3S MolecularWeight: 422.34084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3S/c22-18-13-11-16(12-14-18)15-26-21-24-23-20(17-7-3-1-4-8-17)25(21)19-9-5-2-6-10-19/h1-14H,15H2