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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-methyl-4-(2-methyl-4-thiazolyl)-2-pyrrolecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carboxamide Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CN(C(=C2)C(=O)NC3=CC=C(C=C3)CC#N)C

Isomeric SMILES

CC1=NC(=CS1)C2=CN(C(=C2)C(=O)NC3=CC=C(C=C3)CC#N)C

InChI

InChI=1S/C18H16N4OS/c1-12-20-16(11-24-12)14-9-17(22(2)10-14)18(23)21-15-5-3-13(4-6-15)7-8-19/h3-6,9-11H,7H2,1-2H3,(H,21,23)