5-azanyl-2,3-dihydrophthalazine-1,4-dione; 6-oxidanyl-1,3-benzothiazole-2-carbonitrile

Systemtic Name: 5-azanyl-2,3-dihydrophthalazine-1,4-dione; 6-oxidanyl-1,3-benzothiazole-2-carbonitrile Openeye Name: 5-amino-2,3-dihydrophthalazine-1,4-dione; 6-hydroxy-1,3-benzothiazole-2-carbonitrile CAS Name: 5-amino-2,3-dihydrophthalazine-1,4-dione; 6-hydroxy-1,3-benzothiazole-2-carbonitrile IUPAC Name: 5-amino-2,3-dihydrophthalazine-1,4-dione; 6-hydroxy-1,3-benzothiazole-2-carbonitrile Traditional Name: 5-amino-2,3-dihydrophthalazine-1,4-quinone; 6-hydroxy-1,3-benzothiazole-2-carbonitrile Formula: C16H11N5O3S MolecularWeight: 353.35524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N)C(=O)NNC2=O.C1=CC2=C(C=C1O)SC(=N2)C#N

Isomeric SMILES

C1=CC2=C(C(=C1)N)C(=O)NNC2=O.C1=CC2=C(C=C1O)SC(=N2)C#N

InChI

InChI=1S/C8H7N3O2.C8H4N2OS/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12;9-4-8-10-6-2-1-5(11)3-7(6)12-8/h1-3H,9H2,(H,10,12)(H,11,13);1-3,11H