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

Systemtic Name: 4-[[1-(2,3-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-phenyl-butan-1-one CAS Name: 4-[[1-(2,3-dimethylphenyl)-5-tetrazolyl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-phenylbutan-1-one Traditional Name: 4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]thio]-1-phenyl-butan-1-one Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=N2)SCCCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=N2)SCCCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H20N4OS/c1-14-8-6-11-17(15(14)2)23-19(20-21-22-23)25-13-7-12-18(24)16-9-4-3-5-10-16/h3-6,8-11H,7,12-13H2,1-2H3