3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-ethyl-5-methyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-ethyl-5-methyl-1,2,4-triazole Formula: C12H14BrN3S MolecularWeight: 312.22866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C

InChI

InChI=1S/C12H14BrN3S/c1-3-16-9(2)14-15-12(16)17-8-10-5-4-6-11(13)7-10/h4-7H,3,8H2,1-2H3