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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-methyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-methyl-4-phenyl-1,2,4-triazole Formula: C16H14BrN3S MolecularWeight: 360.27146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN3S/c1-12-18-19-16(20(12)15-5-3-2-4-6-15)21-11-13-7-9-14(17)10-8-13/h2-10H,11H2,1H3