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

Systemtic Name: 2-[[1-(3,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylcyclohexanone CAS Name: 2-[[1-(3,5-dimethylphenyl)-5-tetrazolyl]thio]-1-cyclohexanone IUPAC Name: 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylcyclohexan-1-one Traditional Name: 2-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]thio]cyclohexanone Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4OS/c1-10-7-11(2)9-12(8-10)19-15(16-17-18-19)21-14-6-4-3-5-13(14)20/h7-9,14H,3-6H2,1-2H3