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

Systemtic Name: 5-(2-bromophenyl)-3-(3-methylbut-2-enylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-(2-bromophenyl)-3-(3-methylbut-2-enylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(2-bromophenyl)-3-(3-methylbut-2-enylthio)-1H-1,2,4-triazole IUPAC Name: 5-(2-bromophenyl)-3-(3-methylbut-2-enylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(2-bromophenyl)-3-(3-methylbut-2-enylthio)-1H-1,2,4-triazole Formula: C13H14BrN3S MolecularWeight: 324.23936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=NNC(=N1)C2=CC=CC=C2Br)C

Isomeric SMILES

CC(=CCSC1=NNC(=N1)C2=CC=CC=C2Br)C

InChI

InChI=1S/C13H14BrN3S/c1-9(2)7-8-18-13-15-12(16-17-13)10-5-3-4-6-11(10)14/h3-7H,8H2,1-2H3,(H,15,16,17)