(E)-but-2-enedioic acid; 2-methyl-4-(3-nitrophenyl)-6-phenyl-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 2-methyl-4-(3-nitrophenyl)-6-phenyl-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide Openeye Name: fumaric acid; 2-methyl-4-(3-nitrophenyl)-6-phenyl-N-(2-thiomorpholinoethyl)pyridine-3-carboxamide CAS Name: (E)-2-butenedioic acid; 2-methyl-4-(3-nitrophenyl)-6-phenyl-N-(2-thiomorpholin-4-ylethyl)-3-pyridinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 2-methyl-4-(3-nitrophenyl)-6-phenyl-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide Traditional Name: fumaric acid; 2-methyl-4-(3-nitrophenyl)-6-phenyl-N-(2-thiomorpholinoethyl)nicotinamide Formula: C29H30N4O7S MolecularWeight: 578.6361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NCCN4CCSCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NCCN4CCSCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H26N4O3S.C4H4O4/c1-18-24(25(30)26-10-11-28-12-14-33-15-13-28)22(20-8-5-9-21(16-20)29(31)32)17-23(27-18)19-6-3-2-4-7-19;5-3(6)1-2-4(7)8/h2-9,16-17H,10-15H2,1H3,(H,26,30);1-2H,(H,5,6)(H,7,8)/b;2-1+