2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(2,5-dimethylphenyl)ethanone CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-(2,5-dimethylphenyl)ethanone IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(2,5-dimethylphenyl)ethanone Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-1-(2,5-dimethylphenyl)ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=NN2C3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=NN2C3CCCCC3

InChI

InChI=1S/C17H22N4OS/c1-12-8-9-13(2)15(10-12)16(22)11-23-17-18-19-20-21(17)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3