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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)CC2=CC=CC=C2

InChI

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