[azanyl-(pyridin-3-ylmethylamino)sulfanylcarbonylsulfanyl-phosphoryl] (pyridin-3-ylmethylamino)sulfanylmethanoate

Systemtic Name: [azanyl-(pyridin-3-ylmethylamino)sulfanylcarbonylsulfanyl-phosphoryl] (pyridin-3-ylmethylamino)sulfanylmethanoate Openeye Name: [amino-(3-pyridylmethylamino)sulfanylcarbonylsulfanyl-phosphoryl] (3-pyridylmethylamino)sulfanylformate CAS Name: [(3-pyridinylmethylamino)thio]formic acid [amino-[[oxo-[(3-pyridinylmethylamino)thio]methyl]thio]phosphoryl] ester IUPAC Name: [amino-(pyridin-3-ylmethylamino)sulfanylcarbonylsulfanylphosphoryl] (pyridin-3-ylmethylamino)sulfanylformate Traditional Name: [(3-pyridylmethylamino)thio]formic acid [amino-[[(3-pyridylmethylamino)thio]carbonylthio]phosphoryl] ester Formula: C14H16N5O4PS3 MolecularWeight: 445.476701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNSC(=O)OP(=O)(N)SC(=O)SNCC2=CN=CC=C2

Isomeric SMILES

C1=CC(=CN=C1)CNSC(=O)OP(=O)(N)SC(=O)SNCC2=CN=CC=C2

InChI

InChI=1S/C14H16N5O4PS3/c15-24(22,23-13(20)25-18-9-11-3-1-5-16-7-11)27-14(21)26-19-10-12-4-2-6-17-8-12/h1-8,18-19H,9-10H2,(H2,15,22)