5-azanyl-4-cyano-N-(diethylcarbamoyl)-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carboxamide

Systemtic Name: 5-azanyl-4-cyano-N-(diethylcarbamoyl)-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carboxamide Openeye Name: 5-amino-4-cyano-N-(diethylcarbamoyl)-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carboxamide CAS Name: 5-amino-4-cyano-N-[diethylamino(oxo)methyl]-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carboxamide IUPAC Name: 5-amino-4-cyano-N-(diethylcarbamoyl)-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carboxamide Traditional Name: 5-amino-4-cyano-N-(diethylcarbamoyl)-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carboxamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)NC(=O)C1C(C(=C(S1)N)C#N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)NC(=O)C1C(C(=C(S1)N)C#N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4S/c1-3-21(4-2)17(24)20-16(23)14-13(12(9-18)15(19)27-14)10-6-5-7-11(8-10)22(25)26/h5-8,13-14H,3-4,19H2,1-2H3,(H,20,23,24)