5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazole

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazole Openeye Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(4-isopropylphenyl)tetrazole CAS Name: 5-(1,3-benzodioxol-5-ylmethylthio)-1-(4-propan-2-ylphenyl)tetrazole IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(4-propan-2-ylphenyl)tetrazole Traditional Name: 1-p-cumenyl-5-(piperonylthio)tetrazole Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N4O2S/c1-12(2)14-4-6-15(7-5-14)22-18(19-20-21-22)25-10-13-3-8-16-17(9-13)24-11-23-16/h3-9,12H,10-11H2,1-2H3