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

Systemtic Name: 3-(3-bromophenyl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole Openeye Name: 3-(3-bromophenyl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole CAS Name: 3-(3-bromophenyl)-4-methyl-5-(phenethylthio)-1,2,4-triazole IUPAC Name: 3-(3-bromophenyl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole Traditional Name: 3-(3-bromophenyl)-4-methyl-5-(phenethylthio)-1,2,4-triazole Formula: C17H16BrN3S MolecularWeight: 374.29804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=CC(=CC=C3)Br

Isomeric SMILES

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=CC(=CC=C3)Br

InChI

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