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

Systemtic Name: 5-(4-bromophenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-(4-bromophenyl)-3-isobutylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(4-bromophenyl)-3-(2-methylpropylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-bromophenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(4-bromophenyl)-3-(isobutylthio)-1H-1,2,4-triazole Formula: C12H14BrN3S MolecularWeight: 312.22866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H14BrN3S/c1-8(2)7-17-12-14-11(15-16-12)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,15,16)