3-[(2-bromophenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=CC=CC=C2Br

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=CC=CC=C2Br

InChI

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