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

Systemtic Name: 2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 1-phenyl-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-ethanone CAS Name: 2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]-1-phenylethanone IUPAC Name: 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylethanone Traditional Name: 1-phenyl-2-[[1-(p-tolyl)tetrazol-5-yl]thio]ethanone Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4OS/c1-12-7-9-14(10-8-12)20-16(17-18-19-20)22-11-15(21)13-5-3-2-4-6-13/h2-10H,11H2,1H3