5-(2-bromophenyl)-3-phenethylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(2-bromophenyl)-3-phenethylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-(2-bromophenyl)-3-phenethylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(2-bromophenyl)-3-(phenethylthio)-1H-1,2,4-triazole IUPAC Name: 5-(2-bromophenyl)-3-phenethylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(2-bromophenyl)-3-(phenethylthio)-1H-1,2,4-triazole Formula: C16H14BrN3S MolecularWeight: 360.27146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C16H14BrN3S/c17-14-9-5-4-8-13(14)15-18-16(20-19-15)21-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19,20)