N-[2-methyl-5-phenyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-methyl-5-phenyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]pyridine-4-carboxamide Openeye Name: N-[2-methyl-5-phenyl-3-(thiomorpholinomethyl)pyrrol-1-yl]pyridine-4-carboxamide CAS Name: N-[2-methyl-5-phenyl-3-(thiomorpholin-4-ylmethyl)-1-pyrrolyl]-4-pyridinecarboxamide IUPAC Name: N-[2-methyl-5-phenyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]pyridine-4-carboxamide Traditional Name: N-[2-methyl-5-phenyl-3-(thiomorpholinomethyl)pyrrol-1-yl]isonicotinamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCSCC4

Isomeric SMILES

CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCSCC4

InChI

InChI=1S/C22H24N4OS/c1-17-20(16-25-11-13-28-14-12-25)15-21(18-5-3-2-4-6-18)26(17)24-22(27)19-7-9-23-10-8-19/h2-10,15H,11-14,16H2,1H3,(H,24,27)