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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=C(C=C3)Br

InChI

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