6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-phenyl-hexan-3-one

Systemtic Name: 6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-phenyl-hexan-3-one Openeye Name: 6-(1-methyltetrazol-5-yl)sulfanyl-1-phenyl-hexan-3-one CAS Name: 6-[(1-methyl-5-tetrazolyl)thio]-1-phenyl-3-hexanone IUPAC Name: 6-(1-methyltetrazol-5-yl)sulfanyl-1-phenylhexan-3-one Traditional Name: 6-[(1-methyltetrazol-5-yl)thio]-1-phenyl-hexan-3-one Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C14H18N4OS/c1-18-14(15-16-17-18)20-11-5-8-13(19)10-9-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3