5-nitro-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiophene-3-carboxamide

Systemtic Name: 5-nitro-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiophene-3-carboxamide Openeye Name: 5-nitro-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiophene-3-carboxamide CAS Name: 5-nitro-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-thiophenecarboxamide IUPAC Name: 5-nitro-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiophene-3-carboxamide Traditional Name: N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-5-nitro-thiophene-3-carboxamide Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)C3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)C3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4S/c22-15(10-8-13(21(24)25)26-9-10)18-7-3-6-17-14-11-4-1-2-5-12(11)16(23)20-19-14/h1-2,4-5,8-9H,3,6-7H2,(H,17,19)(H,18,22)(H,20,23)