5-(3,4-dihydro-1H-isochromen-1-ylmethylsulfanyl)-1-(2,4-dimethylphenyl)-1,2,3,4-tetrazole

Systemtic Name: 5-(3,4-dihydro-1H-isochromen-1-ylmethylsulfanyl)-1-(2,4-dimethylphenyl)-1,2,3,4-tetrazole Openeye Name: 1-(2,4-dimethylphenyl)-5-(isochroman-1-ylmethylsulfanyl)tetrazole CAS Name: 5-(3,4-dihydro-1H-2-benzopyran-1-ylmethylthio)-1-(2,4-dimethylphenyl)tetrazole IUPAC Name: 5-(3,4-dihydro-1H-isochromen-1-ylmethylsulfanyl)-1-(2,4-dimethylphenyl)tetrazole Traditional Name: 1-(2,4-dimethylphenyl)-5-(isochroman-1-ylmethylthio)tetrazole Formula: C19H20N4OS MolecularWeight: 352.4533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC3C4=CC=CC=C4CCO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC3C4=CC=CC=C4CCO3)C

InChI

InChI=1S/C19H20N4OS/c1-13-7-8-17(14(2)11-13)23-19(20-21-22-23)25-12-18-16-6-4-3-5-15(16)9-10-24-18/h3-8,11,18H,9-10,12H2,1-2H3