3-azanyl-4,6-dimethyl-N-(4-nitrophenyl)-5-(phenylmethyl)thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-4,6-dimethyl-N-(4-nitrophenyl)-5-(phenylmethyl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-5-benzyl-4,6-dimethyl-N-(4-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-4,6-dimethyl-N-(4-nitrophenyl)-5-(phenylmethyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-5-benzyl-4,6-dimethyl-N-(4-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-5-benzyl-4,6-dimethyl-N-(4-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(SC2=NC(=C1CC3=CC=CC=C3)C)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

CC1=C2C(=C(SC2=NC(=C1CC3=CC=CC=C3)C)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C23H20N4O3S/c1-13-18(12-15-6-4-3-5-7-15)14(2)25-23-19(13)20(24)21(31-23)22(28)26-16-8-10-17(11-9-16)27(29)30/h3-11H,12,24H2,1-2H3,(H,26,28)