5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-1-propan-2-yl-1,2,3,4-tetrazole

Systemtic Name: 5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-1-propan-2-yl-1,2,3,4-tetrazole Openeye Name: 1-isopropyl-5-[[4-(p-tolylsulfonyl)phenyl]methylsulfanyl]tetrazole CAS Name: 5-[[4-(4-methylphenyl)sulfonylphenyl]methylthio]-1-propan-2-yltetrazole IUPAC Name: 5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-1-propan-2-yltetrazole Traditional Name: 1-isopropyl-5-[(4-tosylbenzyl)thio]tetrazole Formula: C18H20N4O2S2 MolecularWeight: 388.507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NN=NN3C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NN=NN3C(C)C

InChI

InChI=1S/C18H20N4O2S2/c1-13(2)22-18(19-20-21-22)25-12-15-6-10-17(11-7-15)26(23,24)16-8-4-14(3)5-9-16/h4-11,13H,12H2,1-3H3