2-[(2-cyanophenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[(2-cyanophenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: 2-[(2-cyanophenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 2-[(2-cyanophenyl)methylthio]-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: 2-[(2-cyanophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[(2-cyanobenzyl)thio]-4,5,6-trimethyl-nicotinamide Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC2=CC=CC=C2C#N)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC2=CC=CC=C2C#N)C

InChI

InChI=1S/C17H17N3OS/c1-10-11(2)15(16(19)21)17(20-12(10)3)22-9-14-7-5-4-6-13(14)8-18/h4-7H,9H2,1-3H3,(H2,19,21)