1-(1,3-benzodioxol-5-yl)-5-[(3-bromophenyl)methylsulfanyl]-1,2,3,4-tetrazole

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-[(3-bromophenyl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-[(3-bromophenyl)methylsulfanyl]tetrazole CAS Name: 1-(1,3-benzodioxol-5-yl)-5-[(3-bromophenyl)methylthio]tetrazole IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-[(3-bromophenyl)methylsulfanyl]tetrazole Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-[(3-bromobenzyl)thio]tetrazole Formula: C15H11BrN4O2S MolecularWeight: 391.24244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C15H11BrN4O2S/c16-11-3-1-2-10(6-11)8-23-15-17-18-19-20(15)12-4-5-13-14(7-12)22-9-21-13/h1-7H,8-9H2