N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxamide Formula: C21H21FN4O5S MolecularWeight: 460.478643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21FN4O5S/c1-30-18-10-13(16(26(28)29)11-19(18)31-2)8-9-23-20(27)17-12-24-21(32-3)25(17)15-6-4-14(22)5-7-15/h4-7,10-12H,8-9H2,1-3H3,(H,23,27)