4-[5-[(2-bromophenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[(2-bromophenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-benzyl-5-[(2-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(2-bromophenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-benzyl-5-[(2-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-benzyl-5-[(2-bromobenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C21H17BrN4S MolecularWeight: 437.35548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3Br)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3Br)C4=CC=NC=C4

InChI

InChI=1S/C21H17BrN4S/c22-19-9-5-4-8-18(19)15-27-21-25-24-20(17-10-12-23-13-11-17)26(21)14-16-6-2-1-3-7-16/h1-13H,14-15H2