3-(4-bromophenyl)-5-methylsulfanyl-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-(4-bromophenyl)-5-methylsulfanyl-4-phenethyl-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-5-methylsulfanyl-4-phenethyl-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-5-(methylthio)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-5-methylsulfanyl-4-phenethyl-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-5-(methylthio)-4-phenethyl-1,2,4-triazole Formula: C17H16BrN3S MolecularWeight: 374.29804

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3S/c1-22-17-20-19-16(14-7-9-15(18)10-8-14)21(17)12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3