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

Systemtic Name: 5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-phenyl-pentan-1-one Openeye Name: 5-(1-methyltetrazol-5-yl)sulfanyl-1-phenyl-pentan-1-one CAS Name: 5-[(1-methyl-5-tetrazolyl)thio]-1-phenyl-1-pentanone IUPAC Name: 5-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpentan-1-one Traditional Name: 5-[(1-methyltetrazol-5-yl)thio]-1-phenyl-pentan-1-one Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCCC(=O)C2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=N1)SCCCCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16N4OS/c1-17-13(14-15-16-17)19-10-6-5-9-12(18)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3