4,5,6-trimethyl-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: 4,5,6-trimethyl-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 4,5,6-trimethyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 4,5,6-trimethyl-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-3-pyridinecarboxamide IUPAC Name: 4,5,6-trimethyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)C2=CC=CN2)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)C2=CC=CN2)C

InChI

InChI=1S/C15H17N3O2S/c1-8-9(2)13(14(16)20)15(18-10(8)3)21-7-12(19)11-5-4-6-17-11/h4-6,17H,7H2,1-3H3,(H2,16,20)