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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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