N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(6-nitro-1,3-benzothiazol-2-yl)-3-propyl-phthalazine-1-carboxamide Formula: C19H15N5O4S MolecularWeight: 409.4185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4S/c1-2-9-23-18(26)13-6-4-3-5-12(13)16(22-23)17(25)21-19-20-14-8-7-11(24(27)28)10-15(14)29-19/h3-8,10H,2,9H2,1H3,(H,20,21,25)