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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-ethyl-4-(oxolan-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-ethyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-ethyl-4-(2-oxolanylmethyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-ethyl-4-(oxolan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-ethyl-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C16H20BrN3OS MolecularWeight: 382.3185

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC2CCCO2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=NN=C(N1CC2CCCO2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H20BrN3OS/c1-2-15-18-19-16(20(15)10-14-7-4-8-21-14)22-11-12-5-3-6-13(17)9-12/h3,5-6,9,14H,2,4,7-8,10-11H2,1H3