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

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-furylmethyl)pyrazol-3-yl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-(2-furanylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-(2-furfuryl)pyrazol-3-yl]nicotinamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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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=CO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CC=CO4)C

InChI

InChI=1S/C22H20N4O2S/c1-15-7-8-18(13-16(15)2)29-22-19(6-3-10-23-22)21(27)25-20-9-11-24-26(20)14-17-5-4-12-28-17/h3-13H,14H2,1-2H3,(H,25,27)