2-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]cyclohexan-1-one

Systemtic Name: 2-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[1-(m-tolyl)tetrazol-5-yl]sulfanylcyclohexanone CAS Name: 2-[[1-(3-methylphenyl)-5-tetrazolyl]thio]-1-cyclohexanone IUPAC Name: 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylcyclohexan-1-one Traditional Name: 2-[[1-(m-tolyl)tetrazol-5-yl]thio]cyclohexanone Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=N2)SC3CCCCC3=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=N2)SC3CCCCC3=O

InChI

InChI=1S/C14H16N4OS/c1-10-5-4-6-11(9-10)18-14(15-16-17-18)20-13-8-3-2-7-12(13)19/h4-6,9,13H,2-3,7-8H2,1H3