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

Systemtic Name: 5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2-methyl-1-(phenylmethyl)pyrrole-3-carboxamide Openeye Name: 1-benzyl-5-[2-(cyanomethyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide CAS Name: 5-[2-(cyanomethyl)-4-thiazolyl]-2-methyl-1-(phenylmethyl)-3-pyrrolecarboxamide IUPAC Name: 1-benzyl-5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide Traditional Name: 1-benzyl-5-[2-(cyanomethyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4OS/c1-12-14(18(20)23)9-16(15-11-24-17(21-15)7-8-19)22(12)10-13-5-3-2-4-6-13/h2-6,9,11H,7,10H2,1H3,(H2,20,23)