N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-2-(4-pyridyl)thiazole-5-carboxamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-2-pyridin-4-yl-5-thiazolecarboxamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-2-(4-pyridyl)thiazole-5-carboxamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CN=C(S1)C2=CC=NC=C2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CN=C(S1)C2=CC=NC=C2

InChI

InChI=1S/C17H19N5O2S/c1-11(2)9-13(15(23)20-8-5-18)22-16(24)14-10-21-17(25-14)12-3-6-19-7-4-12/h3-4,6-7,10-11,13H,8-9H2,1-2H3,(H,20,23)(H,22,24)