N-[1-(4-bromophenyl)ethyl]-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide

Systemtic Name: N-[1-(4-bromophenyl)ethyl]-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide Openeye Name: N-[1-(4-bromophenyl)ethyl]-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide CAS Name: N-[1-(4-bromophenyl)ethyl]-3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxamide IUPAC Name: N-[1-(4-bromophenyl)ethyl]-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide Traditional Name: N-[1-(4-bromophenyl)ethyl]-3-cyano-6-cyclopropyl-2-(methylthio)isonicotinamide Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

InChI

InChI=1S/C19H18BrN3OS/c1-11(12-5-7-14(20)8-6-12)22-18(24)15-9-17(13-3-4-13)23-19(25-2)16(15)10-21/h5-9,11,13H,3-4H2,1-2H3,(H,22,24)