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

Systemtic Name: 5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-1-[(3-fluorophenyl)methyl]-2-methyl-pyrrole-3-carboxamide Openeye Name: 5-[2-(cyanomethyl)thiazol-4-yl]-1-[(3-fluorophenyl)methyl]-2-methyl-pyrrole-3-carboxamide CAS Name: 5-[2-(cyanomethyl)-4-thiazolyl]-1-[(3-fluorophenyl)methyl]-2-methyl-3-pyrrolecarboxamide IUPAC Name: 5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-1-[(3-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide Traditional Name: 5-[2-(cyanomethyl)thiazol-4-yl]-1-(3-fluorobenzyl)-2-methyl-pyrrole-3-carboxamide Formula: C18H15FN4OS MolecularWeight: 354.401303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=CC(=CC=C2)F)C3=CSC(=N3)CC#N)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CC2=CC(=CC=C2)F)C3=CSC(=N3)CC#N)C(=O)N

InChI

InChI=1S/C18H15FN4OS/c1-11-14(18(21)24)8-16(15-10-25-17(22-15)5-6-20)23(11)9-12-3-2-4-13(19)7-12/h2-4,7-8,10H,5,9H2,1H3,(H2,21,24)