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

Systemtic Name: 4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-phenyl-butan-1-one CAS Name: 4-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-phenylbutan-1-one Traditional Name: 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]-1-phenyl-butan-1-one Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-24-16-11-9-15(10-12-16)22-18(19-20-21-22)25-13-5-8-17(23)14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3