3-azanyl-4-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[2-[(3-hydroxy-2-pyridinyl)methylthio]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[2-[(3-hydroxy-2-pyridyl)methylthio]ethylamino]cyclobut-3-ene-1,2-quinone Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCNC2=C(C(=O)C2=O)N)O

Isomeric SMILES

C1=CC(=C(N=C1)CSCCNC2=C(C(=O)C2=O)N)O

InChI

InChI=1S/C12H13N3O3S/c13-9-10(12(18)11(9)17)15-4-5-19-6-7-8(16)2-1-3-14-7/h1-3,15-16H,4-6,13H2