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

Systemtic Name: 1-(4-methoxyphenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-butan-1-one CAS Name: 1-(4-methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]-1-butanone IUPAC Name: 1-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylbutan-1-one Traditional Name: 1-(4-methoxyphenyl)-4-[(1-methyltetrazol-5-yl)thio]butan-1-one Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H16N4O2S/c1-17-13(14-15-16-17)20-9-3-4-12(18)10-5-7-11(19-2)8-6-10/h5-8H,3-4,9H2,1-2H3