4-azanyl-1,1-bis(oxidanylidene)-3-[2-(pyridin-2-ylmethylsulfanyl)ethylamino]-1,2-thiazole-5-carboxamide

Systemtic Name: 4-azanyl-1,1-bis(oxidanylidene)-3-[2-(pyridin-2-ylmethylsulfanyl)ethylamino]-1,2-thiazole-5-carboxamide Openeye Name: 4-amino-1,1-dioxo-3-[2-(2-pyridylmethylsulfanyl)ethylamino]isothiazole-5-carboxamide CAS Name: 4-amino-1,1-dioxo-3-[2-(2-pyridinylmethylthio)ethylamino]-5-isothiazolecarboxamide IUPAC Name: 4-amino-1,1-dioxo-3-[2-(pyridin-2-ylmethylsulfanyl)ethylamino]-1,2-thiazole-5-carboxamide Traditional Name: 4-amino-1,1-diketo-3-[2-(2-pyridylmethylthio)ethylamino]isothiazole-5-carboxamide Formula: C12H15N5O3S2 MolecularWeight: 341.4092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSCCNC2=NS(=O)(=O)C(=C2N)C(=O)N

Isomeric SMILES

C1=CC=NC(=C1)CSCCNC2=NS(=O)(=O)C(=C2N)C(=O)N

InChI

InChI=1S/C12H15N5O3S2/c13-9-10(11(14)18)22(19,20)17-12(9)16-5-6-21-7-8-3-1-2-4-15-8/h1-4H,5-7,13H2,(H2,14,18)(H,16,17)