2-methylsulfanyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[[(2R)-7-(2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[[(2R)-7-pyrazin-2-ylcoumaran-2-yl]methyl]nicotinamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC2CC3=CC=CC(=C3O2)C4=NC=CN=C4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC[C@H]2CC3=CC=CC(=C3O2)C4=NC=CN=C4

InChI

InChI=1S/C20H18N4O2S/c1-27-20-16(6-3-7-23-20)19(25)24-11-14-10-13-4-2-5-15(18(13)26-14)17-12-21-8-9-22-17/h2-9,12,14H,10-11H2,1H3,(H,24,25)/t14-/m1/s1