3-azanyl-2-(1,3-benzothiazol-2-yl)-4-cyano-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide

Systemtic Name: 3-azanyl-2-(1,3-benzothiazol-2-yl)-4-cyano-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide Openeye Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-cyano-N-hydroxy-1-oxo-isoquinolin-7-amine oxide CAS Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-cyano-N-hydroxy-1-oxo-7-isoquinolinamine oxide IUPAC Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-cyano-N-hydroxy-1-oxoisoquinolin-7-amine oxide Traditional Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-cyano-N-hydroxy-1-keto-isoquinolin-7-amine oxide Formula: C17H11N5O3S MolecularWeight: 365.36594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C4=C(C3=O)C=C(C=C4)[NH+](O)[O-])C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C4=C(C3=O)C=C(C=C4)[NH+](O)[O-])C#N)N

InChI

InChI=1S/C17H11N5O3S/c18-8-12-10-6-5-9(22(24)25)7-11(10)16(23)21(15(12)19)17-20-13-3-1-2-4-14(13)26-17/h1-7,22,24H,19H2