3-azanyl-4-cyano-N-(4-methyl-3-nitro-phenyl)-5-[(4-methylphenyl)amino]thiophene-2-carboxamide

Systemtic Name: 3-azanyl-4-cyano-N-(4-methyl-3-nitro-phenyl)-5-[(4-methylphenyl)amino]thiophene-2-carboxamide Openeye Name: 3-amino-4-cyano-5-(4-methylanilino)-N-(4-methyl-3-nitro-phenyl)thiophene-2-carboxamide CAS Name: 3-amino-4-cyano-5-(4-methylanilino)-N-(4-methyl-3-nitrophenyl)-2-thiophenecarboxamide IUPAC Name: 3-amino-4-cyano-5-(4-methylanilino)-N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide Traditional Name: 3-amino-4-cyano-N-(4-methyl-3-nitro-phenyl)-5-(p-toluidino)thiophene-2-carboxamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C20H17N5O3S/c1-11-3-6-13(7-4-11)24-20-15(10-21)17(22)18(29-20)19(26)23-14-8-5-12(2)16(9-14)25(27)28/h3-9,24H,22H2,1-2H3,(H,23,26)