N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-[(5-methyl-2-furyl)methyl]pyrazol-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[(5-methyl-2-furanyl)methyl]-3-pyrazolyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-[(5-methyl-2-furyl)methyl]pyrazol-3-yl]-2-(phenylthio)nicotinamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)CN2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-15-9-10-16(27-15)14-25-19(11-13-23-25)24-20(26)18-8-5-12-22-21(18)28-17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,24,26)