N-[[3,4-bis(fluoranyl)phenyl]methyl]-4-(5-methyl-2-methylsulfanyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxamide

Systemtic Name: N-[[3,4-bis(fluoranyl)phenyl]methyl]-4-(5-methyl-2-methylsulfanyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxamide Openeye Name: N-[(3,4-difluorophenyl)methyl]-4-(5-methyl-2-methylsulfanyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxamide CAS Name: N-[(3,4-difluorophenyl)methyl]-4-[5-methyl-2-(methylthio)-4-pyrimidinyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[(3,4-difluorophenyl)methyl]-4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide Traditional Name: N-(3,4-difluorobenzyl)-4-[5-methyl-2-(methylthio)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Formula: C18H16F2N4OS MolecularWeight: 374.407646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)NCC3=CC(=C(C=C3)F)F)SC

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)NCC3=CC(=C(C=C3)F)F)SC

InChI

InChI=1S/C18H16F2N4OS/c1-10-7-23-18(26-2)24-16(10)12-6-15(21-9-12)17(25)22-8-11-3-4-13(19)14(20)5-11/h3-7,9,21H,8H2,1-2H3,(H,22,25)