5-[3-(3,4-dihydro-1H-isochromen-3-yl)propylsulfanyl]-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[3-(3,4-dihydro-1H-isochromen-3-yl)propylsulfanyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-(3-isochroman-3-ylpropylsulfanyl)-1-phenyl-tetrazole CAS Name: 5-[3-(3,4-dihydro-1H-2-benzopyran-3-yl)propylthio]-1-phenyltetrazole IUPAC Name: 5-[3-(3,4-dihydro-1H-isochromen-3-yl)propylsulfanyl]-1-phenyltetrazole Traditional Name: 5-(3-isochroman-3-ylpropylthio)-1-phenyl-tetrazole Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C21)CCCSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1C(OCC2=CC=CC=C21)CCCSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H20N4OS/c1-2-9-17(10-3-1)23-19(20-21-22-23)25-12-6-11-18-13-15-7-4-5-8-16(15)14-24-18/h1-5,7-10,18H,6,11-14H2