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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-4-(oxolan-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-ethyl-4-(2-oxolanylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-4-(oxolan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-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=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3OS/c1-2-15-18-19-16(20(15)10-14-4-3-9-21-14)22-11-12-5-7-13(17)8-6-12/h5-8,14H,2-4,9-11H2,1H3