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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NNC(=N2)C3=CC=CC=C3Br

InChI

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