4-cyano-5-[(3,5-dinitrophenyl)carbonylamino]-N,N-diethyl-3-methyl-thiophene-2-carboxamide

Systemtic Name: 4-cyano-5-[(3,5-dinitrophenyl)carbonylamino]-N,N-diethyl-3-methyl-thiophene-2-carboxamide Openeye Name: 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N-diethyl-3-methyl-thiophene-2-carboxamide CAS Name: 4-cyano-5-[[(3,5-dinitrophenyl)-oxomethyl]amino]-N,N-diethyl-3-methyl-2-thiophenecarboxamide IUPAC Name: 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide Traditional Name: 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N-diethyl-3-methyl-thiophene-2-carboxamide Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C#N)C

InChI

InChI=1S/C18H17N5O6S/c1-4-21(5-2)18(25)15-10(3)14(9-19)17(30-15)20-16(24)11-6-12(22(26)27)8-13(7-11)23(28)29/h6-8H,4-5H2,1-3H3,(H,20,24)