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

Systemtic Name: 1-(3,4-dimethylphenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-propan-1-one CAS Name: 1-(3,4-dimethylphenyl)-2-[(1-methyl-5-tetrazolyl)thio]-1-propanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one Traditional Name: 1-(3,4-dimethylphenyl)-2-[(1-methyltetrazol-5-yl)thio]propan-1-one Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=NN2C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=NN2C)C

InChI

InChI=1S/C13H16N4OS/c1-8-5-6-11(7-9(8)2)12(18)10(3)19-13-14-15-16-17(13)4/h5-7,10H,1-4H3