N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxamide Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H18FN3O3S/c1-28-20-23-11-16(24(20)14-8-6-13(21)7-9-14)19(25)22-10-15-12-26-17-4-2-3-5-18(17)27-15/h2-9,11,15H,10,12H2,1H3,(H,22,25)/t15-/m0/s1