1-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propan-2-one Openeye Name: 1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylpropan-2-one CAS Name: 1-[[1-(4-butylphenyl)-5-tetrazolyl]thio]-2-propanone IUPAC Name: 1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylpropan-2-one Traditional Name: 1-[[1-(4-butylphenyl)tetrazol-5-yl]thio]acetone Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C

InChI

InChI=1S/C14H18N4OS/c1-3-4-5-12-6-8-13(9-7-12)18-14(15-16-17-18)20-10-11(2)19/h6-9H,3-5,10H2,1-2H3