2-[4-[[(5-methylthiophen-3-yl)methylamino]methyl]pyridin-2-yl]-4-pyridin-3-yl-1H-pyrazol-3-one

Systemtic Name: 2-[4-[[(5-methylthiophen-3-yl)methylamino]methyl]pyridin-2-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Openeye Name: 2-[4-[[(5-methyl-3-thienyl)methylamino]methyl]-2-pyridyl]-4-(3-pyridyl)-1H-pyrazol-3-one CAS Name: 2-[4-[[(5-methyl-3-thiophenyl)methylamino]methyl]-2-pyridinyl]-4-(3-pyridinyl)-1H-pyrazol-3-one IUPAC Name: 2-[4-[[(5-methylthiophen-3-yl)methylamino]methyl]pyridin-2-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Traditional Name: 2-[4-[[(5-methyl-3-thienyl)methylamino]methyl]-2-pyridyl]-4-(3-pyridyl)-3-pyrazolin-3-one Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CS1)CNCC2=CC(=NC=C2)N3C(=O)C(=CN3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CS1)CNCC2=CC(=NC=C2)N3C(=O)C(=CN3)C4=CN=CC=C4

InChI

InChI=1S/C20H19N5OS/c1-14-7-16(13-27-14)10-22-9-15-4-6-23-19(8-15)25-20(26)18(12-24-25)17-3-2-5-21-11-17/h2-8,11-13,22,24H,9-10H2,1H3