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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4,5-diethyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4,5-diethyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4,5-diethyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4,5-diethyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4,5-diethyl-1,2,4-triazole Formula: C13H16BrN3S MolecularWeight: 326.25524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CCC1=NN=C(N1CC)SCC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H16BrN3S/c1-3-12-15-16-13(17(12)4-2)18-9-10-6-5-7-11(14)8-10/h5-8H,3-4,9H2,1-2H3