N-(2-benzamidoethyl)-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide

Systemtic Name: N-(2-benzamidoethyl)-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide Openeye Name: N-(2-benzamidoethyl)-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide CAS Name: N-(2-benzamidoethyl)-3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxamide IUPAC Name: N-(2-benzamidoethyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide Traditional Name: N-(2-benzamidoethyl)-3-cyano-6-cyclopropyl-2-(methylthio)isonicotinamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NCCNC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NCCNC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H20N4O2S/c1-27-20-16(12-21)15(11-17(24-20)13-7-8-13)19(26)23-10-9-22-18(25)14-5-3-2-4-6-14/h2-6,11,13H,7-10H2,1H3,(H,22,25)(H,23,26)