N-(4-aminocarbonylphenyl)-2-(cyanomethylsulfanyl)-4,5,6-trimethyl-pyridine-3-carboxamide

Systemtic Name: N-(4-aminocarbonylphenyl)-2-(cyanomethylsulfanyl)-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: N-(4-carbamoylphenyl)-2-(cyanomethylsulfanyl)-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: N-(4-carbamoylphenyl)-2-(cyanomethylthio)-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: N-(4-carbamoylphenyl)-2-(cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: N-(4-carbamoylphenyl)-2-(cyanomethylthio)-4,5,6-trimethyl-nicotinamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)NC2=CC=C(C=C2)C(=O)N)SCC#N)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)NC2=CC=C(C=C2)C(=O)N)SCC#N)C

InChI

InChI=1S/C18H18N4O2S/c1-10-11(2)15(18(21-12(10)3)25-9-8-19)17(24)22-14-6-4-13(5-7-14)16(20)23/h4-7H,9H2,1-3H3,(H2,20,23)(H,22,24)