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

Systemtic Name: 5-(3,4-dihydro-1H-isochromen-3-ylmethylsulfanyl)-1-(3-methylphenyl)-1,2,3,4-tetrazole Openeye Name: 5-(isochroman-3-ylmethylsulfanyl)-1-(m-tolyl)tetrazole CAS Name: 5-(3,4-dihydro-1H-2-benzopyran-3-ylmethylthio)-1-(3-methylphenyl)tetrazole IUPAC Name: 5-(3,4-dihydro-1H-isochromen-3-ylmethylsulfanyl)-1-(3-methylphenyl)tetrazole Traditional Name: 5-(isochroman-3-ylmethylthio)-1-(m-tolyl)tetrazole Formula: C18H18N4OS MolecularWeight: 338.42672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=N2)SCC3CC4=CC=CC=C4CO3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=N2)SCC3CC4=CC=CC=C4CO3

InChI

InChI=1S/C18H18N4OS/c1-13-5-4-8-16(9-13)22-18(19-20-21-22)24-12-17-10-14-6-2-3-7-15(14)11-23-17/h2-9,17H,10-12H2,1H3