N-[4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

Systemtic Name: N-[4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide Openeye Name: N-[4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]pyridine-4-carboxamide CAS Name: N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]-4-pyridinecarboxamide IUPAC Name: N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide Traditional Name: N-[4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]isonicotinamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H20N4OS/c1-15-12-19(16(2)26(15)13-17-6-4-3-5-7-17)20-14-28-22(24-20)25-21(27)18-8-10-23-11-9-18/h3-12,14H,13H2,1-2H3,(H,24,25,27)