3-azanyl-2-(1,3-benzothiazol-2-yl)-7-nitro-1-oxidanylidene-isoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-(1,3-benzothiazol-2-yl)-7-nitro-1-oxidanylidene-isoquinoline-4-carbonitrile Openeye Name: 3-amino-2-(1,3-benzothiazol-2-yl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile CAS Name: 3-amino-2-(1,3-benzothiazol-2-yl)-7-nitro-1-oxo-4-isoquinolinecarbonitrile IUPAC Name: 3-amino-2-(1,3-benzothiazol-2-yl)-7-nitro-1-oxoisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-(1,3-benzothiazol-2-yl)-1-keto-7-nitro-isoquinoline-4-carbonitrile Formula: C17H9N5O3S MolecularWeight: 363.35006

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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)[N+](=O)[O-])C#N)N

Isomeric SMILES

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

InChI

InChI=1S/C17H9N5O3S/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/h1-7H,19H2