1,3-dimorpholin-4-yl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propane-1,3-dione

Systemtic Name: 1,3-dimorpholin-4-yl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propane-1,3-dione Openeye Name: 1,3-dimorpholino-2-(1-phenyltetrazol-5-yl)sulfanyl-propane-1,3-dione CAS Name: 1,3-bis(4-morpholinyl)-2-[(1-phenyl-5-tetrazolyl)thio]propane-1,3-dione IUPAC Name: 1,3-dimorpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropane-1,3-dione Traditional Name: 1,3-dimorpholino-2-[(1-phenyltetrazol-5-yl)thio]propane-1,3-dione Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C(=O)N2CCOCC2)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)C(C(=O)N2CCOCC2)SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H22N6O4S/c25-16(22-6-10-27-11-7-22)15(17(26)23-8-12-28-13-9-23)29-18-19-20-21-24(18)14-4-2-1-3-5-14/h1-5,15H,6-13H2