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

Systemtic Name: 5-[2-(3,4-dihydro-1H-isochromen-3-yl)ethylsulfanyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-(2-isochroman-3-ylethylsulfanyl)-1-phenyl-tetrazole CAS Name: 5-[2-(3,4-dihydro-1H-2-benzopyran-3-yl)ethylthio]-1-phenyltetrazole IUPAC Name: 5-[2-(3,4-dihydro-1H-isochromen-3-yl)ethylsulfanyl]-1-phenyltetrazole Traditional Name: 5-(2-isochroman-3-ylethylthio)-1-phenyl-tetrazole Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C21)CCSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1C(OCC2=CC=CC=C21)CCSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H18N4OS/c1-2-8-16(9-3-1)22-18(19-20-21-22)24-11-10-17-12-14-6-4-5-7-15(14)13-23-17/h1-9,17H,10-13H2