5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2-methyl-1-(3-oxidanylpropyl)pyrrole-3-carboxamide

Systemtic Name: 5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2-methyl-1-(3-oxidanylpropyl)pyrrole-3-carboxamide Openeye Name: 5-[2-(cyanomethyl)thiazol-4-yl]-1-(3-hydroxypropyl)-2-methyl-pyrrole-3-carboxamide CAS Name: 5-[2-(cyanomethyl)-4-thiazolyl]-1-(3-hydroxypropyl)-2-methyl-3-pyrrolecarboxamide IUPAC Name: 5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-1-(3-hydroxypropyl)-2-methylpyrrole-3-carboxamide Traditional Name: 5-[2-(cyanomethyl)thiazol-4-yl]-1-(3-hydroxypropyl)-2-methyl-pyrrole-3-carboxamide Formula: C14H16N4O2S MolecularWeight: 304.36744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCCO)C2=CSC(=N2)CC#N)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CCCO)C2=CSC(=N2)CC#N)C(=O)N

InChI

InChI=1S/C14H16N4O2S/c1-9-10(14(16)20)7-12(18(9)5-2-6-19)11-8-21-13(17-11)3-4-15/h7-8,19H,2-3,5-6H2,1H3,(H2,16,20)