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

Systemtic Name: 3-(4-bromophenyl)-4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-4-methyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-methyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-4-methyl-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C17H16BrN3S MolecularWeight: 374.29804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)Br

InChI

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