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

Systemtic Name: 5-(4-bromophenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-bromophenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-bromophenyl)-3-[(2,5-dimethylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-bromophenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-bromophenyl)-3-[(2,5-dimethylbenzyl)thio]-1H-1,2,4-triazole Formula: C17H16BrN3S MolecularWeight: 374.29804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3S/c1-11-3-4-12(2)14(9-11)10-22-17-19-16(20-21-17)13-5-7-15(18)8-6-13/h3-9H,10H2,1-2H3,(H,19,20,21)