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

Systemtic Name: 5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2-methyl-1-[2-(4-methylphenyl)ethyl]pyrrole-3-carboxamide Openeye Name: 5-[2-(cyanomethyl)thiazol-4-yl]-2-methyl-1-[2-(p-tolyl)ethyl]pyrrole-3-carboxamide CAS Name: 5-[2-(cyanomethyl)-4-thiazolyl]-2-methyl-1-[2-(4-methylphenyl)ethyl]-3-pyrrolecarboxamide IUPAC Name: 5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2-methyl-1-[2-(4-methylphenyl)ethyl]pyrrole-3-carboxamide Traditional Name: 5-[2-(cyanomethyl)thiazol-4-yl]-2-methyl-1-[2-(p-tolyl)ethyl]pyrrole-3-carboxamide Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCN2C(=C(C=C2C3=CSC(=N3)CC#N)C(=O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)CCN2C(=C(C=C2C3=CSC(=N3)CC#N)C(=O)N)C

InChI

InChI=1S/C20H20N4OS/c1-13-3-5-15(6-4-13)8-10-24-14(2)16(20(22)25)11-18(24)17-12-26-19(23-17)7-9-21/h3-6,11-12H,7-8,10H2,1-2H3,(H2,22,25)