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

Systemtic Name: 1-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dimethylphenyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(3,4-dimethylphenyl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C17H16N4OS/c1-12-8-9-14(10-13(12)2)16(22)11-23-17-18-19-20-21(17)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3