2-azanyl-N3-(3-methylphenyl)-6-phenacylsulfanyl-pyridine-3,5-dicarboxamide

Systemtic Name: 2-azanyl-N3-(3-methylphenyl)-6-phenacylsulfanyl-pyridine-3,5-dicarboxamide Openeye Name: 2-amino-N3-(m-tolyl)-6-phenacylsulfanyl-pyridine-3,5-dicarboxamide CAS Name: 2-amino-N3-(3-methylphenyl)-6-(phenacylthio)pyridine-3,5-dicarboxamide IUPAC Name: 2-amino-3-N-(3-methylphenyl)-6-phenacylsulfanylpyridine-3,5-dicarboxamide Traditional Name: 2-amino-N-(m-tolyl)-6-(phenacylthio)dinicotinamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(N=C2N)SCC(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(N=C2N)SCC(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H20N4O3S/c1-13-6-5-9-15(10-13)25-21(29)16-11-17(20(24)28)22(26-19(16)23)30-12-18(27)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,23,26)(H2,24,28)(H,25,29)