2-(3,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(4-pyridylmethyl)pyrazol-3-yl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-(pyridin-4-ylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-(4-pyridylmethyl)pyrazol-3-yl]nicotinamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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