3-[(6-azanyl-3,5-dicyano-4-cyclohexyl-pyridin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: 3-[(6-azanyl-3,5-dicyano-4-cyclohexyl-pyridin-2-yl)sulfanylmethyl]benzamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-cyclohexyl-2-pyridyl)sulfanylmethyl]benzamide CAS Name: 3-[[(6-amino-3,5-dicyano-4-cyclohexyl-2-pyridinyl)thio]methyl]benzamide IUPAC Name: 3-[(6-amino-3,5-dicyano-4-cyclohexylpyridin-2-yl)sulfanylmethyl]benzamide Traditional Name: 3-[[(6-amino-3,5-dicyano-4-cyclohexyl-2-pyridyl)thio]methyl]benzamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=NC(=C2C#N)SCC3=CC=CC(=C3)C(=O)N)N)C#N

Isomeric SMILES

C1CCC(CC1)C2=C(C(=NC(=C2C#N)SCC3=CC=CC(=C3)C(=O)N)N)C#N

InChI

InChI=1S/C21H21N5OS/c22-10-16-18(14-6-2-1-3-7-14)17(11-23)21(26-19(16)24)28-12-13-5-4-8-15(9-13)20(25)27/h4-5,8-9,14H,1-3,6-7,12H2,(H2,24,26)(H2,25,27)