2-butyl-5-ethoxycarbonyl-4-methylsulfanyl-1-[[4-[2-(sulfinoamino)phenyl]phenyl]methyl]imidazole

Systemtic Name: 2-butyl-5-ethoxycarbonyl-4-methylsulfanyl-1-[[4-[2-(sulfinoamino)phenyl]phenyl]methyl]imidazole Openeye Name: 2-butyl-5-ethoxycarbonyl-4-methylsulfanyl-1-[[4-[2-(sulfinoamino)phenyl]phenyl]methyl]imidazole CAS Name: 2-butyl-5-ethoxycarbonyl-4-(methylthio)-1-[[4-[2-(sulfinoamino)phenyl]phenyl]methyl]imidazole IUPAC Name: 2-butyl-5-ethoxycarbonyl-4-methylsulfanyl-1-[[4-[2-(sulfinoamino)phenyl]phenyl]methyl]imidazole Traditional Name: 2-butyl-5-carbethoxy-4-(methylthio)-1-[4-[2-(sulfinoamino)phenyl]benzyl]imidazole Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)O)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)O)C(=O)OCC)SC

InChI

InChI=1S/C24H29N3O4S2/c1-4-6-11-21-25-23(32-3)22(24(28)31-5-2)27(21)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)26-33(29)30/h7-10,12-15,26H,4-6,11,16H2,1-3H3,(H,29,30)