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

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,5-dimethylphenyl)ethanone CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-(2,5-dimethylphenyl)ethanone IUPAC Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,5-dimethylphenyl)ethanone Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-1-(2,5-dimethylphenyl)ethanone Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=NN2C3CC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=NN2C3CC3

InChI

InChI=1S/C14H16N4OS/c1-9-3-4-10(2)12(7-9)13(19)8-20-14-15-16-17-18(14)11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3