3-azanylidene-8,9-bis(oxidanyl)-1,5-dihydro-[1,3]thiazolo[4,3-a]isoquinoline-1-carbonitrile dihydrate hydrochloride

Systemtic Name: 3-azanylidene-8,9-bis(oxidanyl)-1,5-dihydro-[1,3]thiazolo[4,3-a]isoquinoline-1-carbonitrile dihydrate hydrochloride Openeye Name: 8,9-dihydroxy-3-imino-1,5-dihydrothiazolo[4,3-a]isoquinoline-1-carbonitrile dihydrate hydrochloride CAS Name: 8,9-dihydroxy-3-imino-1,5-dihydrothiazolo[4,3-a]isoquinoline-1-carbonitrile dihydrate hydrochloride IUPAC Name: 8,9-dihydroxy-3-imino-1,5-dihydro-[1,3]thiazolo[4,3-a]isoquinoline-1-carbonitrile dihydrate hydrochloride Traditional Name: 8,9-dihydroxy-3-imino-1,5-dihydrothiazol[4,3-a]isoquinoline-1-carbonitrile dihydrate hydrochloride Formula: C12H14ClN3O4S MolecularWeight: 331.77526

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C=C(C(=CC2=C3N1C(=N)SC3C#N)O)O.O.O.Cl

Isomeric SMILES

C1C=C2C=C(C(=CC2=C3N1C(=N)SC3C#N)O)O.O.O.Cl

InChI

InChI=1S/C12H9N3O2S.ClH.2H2O/c13-5-10-11-7-4-9(17)8(16)3-6(7)1-2-15(11)12(14)18-10;;;/h1,3-4,10,14,16-17H,2H2;1H;2*1H2