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

Systemtic Name: N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-thiazolyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]-2-(methylthio)nicotinamide Formula: C24H24N4OS2 MolecularWeight: 448.60356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=C(N=CC=C4)SC

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=C(N=CC=C4)SC

InChI

InChI=1S/C24H24N4OS2/c1-16-14-20(17(2)28(16)13-11-18-8-5-4-6-9-18)21-15-31-24(26-21)27-22(29)19-10-7-12-25-23(19)30-3/h4-10,12,14-15H,11,13H2,1-3H3,(H,26,27,29)