2-[(4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-3-methyl-benzimidazole-5-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-3-methyl-benzimidazole-5-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-furylmethyl)-3-methyl-benzimidazole-5-carboxamide CAS Name: 2-[(4-fluorophenyl)methylthio]-N-(2-furanylmethyl)-3-methyl-5-benzimidazolecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-(2-furfuryl)-3-methyl-benzimidazole-5-carboxamide Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)N=C1SCC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)N=C1SCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O2S/c1-25-19-11-15(20(26)23-12-17-3-2-10-27-17)6-9-18(19)24-21(25)28-13-14-4-7-16(22)8-5-14/h2-11H,12-13H2,1H3,(H,23,26)