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

Systemtic Name: 2-methyl-1-[(3-methylphenyl)methyl]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide Openeye Name: 2-methyl-1-(m-tolylmethyl)-5-[2-(3-pyridyl)thiazol-4-yl]pyrrole-3-carboxamide CAS Name: 2-methyl-1-[(3-methylphenyl)methyl]-5-[2-(3-pyridinyl)-4-thiazolyl]-3-pyrrolecarboxamide IUPAC Name: 2-methyl-1-[(3-methylphenyl)methyl]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide Traditional Name: 2-methyl-1-(3-methylbenzyl)-5-[2-(3-pyridyl)thiazol-4-yl]pyrrole-3-carboxamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=C(C=C2C3=CSC(=N3)C4=CN=CC=C4)C(=O)N)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=C(C=C2C3=CSC(=N3)C4=CN=CC=C4)C(=O)N)C

InChI

InChI=1S/C22H20N4OS/c1-14-5-3-6-16(9-14)12-26-15(2)18(21(23)27)10-20(26)19-13-28-22(25-19)17-7-4-8-24-11-17/h3-11,13H,12H2,1-2H3,(H2,23,27)