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

Systemtic Name: 3-[4-(4-bromophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(4-bromophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-bromophenyl)-5-[(2,5-dimethylphenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(4-bromophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(4-bromophenyl)-5-[(2,5-dimethylbenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C22H19BrN4S MolecularWeight: 451.38206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C22H19BrN4S/c1-15-5-6-16(2)18(12-15)14-28-22-26-25-21(17-4-3-11-24-13-17)27(22)20-9-7-19(23)8-10-20/h3-13H,14H2,1-2H3