1-(3-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,3,4-tetrazole

Systemtic Name: 1-(3-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,3,4-tetrazole Openeye Name: 1-(m-tolyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)tetrazole CAS Name: 1-(3-methylphenyl)-5-(2-oxanylmethylthio)tetrazole IUPAC Name: 1-(3-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole Traditional Name: 1-(m-tolyl)-5-(tetrahydropyran-2-ylmethylthio)tetrazole Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=N2)SCC3CCCCO3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=N2)SCC3CCCCO3

InChI

InChI=1S/C14H18N4OS/c1-11-5-4-6-12(9-11)18-14(15-16-17-18)20-10-13-7-2-3-8-19-13/h4-6,9,13H,2-3,7-8,10H2,1H3