2-(2,5-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(3-pyridylmethyl)pyrazol-3-yl]pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-[2-(3-pyridinylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-[2-(3-pyridylmethyl)pyrazol-3-yl]nicotinamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CN=CC=C4

InChI

InChI=1S/C23H21N5OS/c1-16-7-8-17(2)20(13-16)30-23-19(6-4-11-25-23)22(29)27-21-9-12-26-28(21)15-18-5-3-10-24-14-18/h3-14H,15H2,1-2H3,(H,27,29)