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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O2S/c1-17-13(14-15-16-17)20-8-4-7-12(18)10-5-3-6-11(9-10)19-2/h3,5-6,9H,4,7-8H2,1-2H3