3-nitro-4-[[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylmethyl]benzamide

Systemtic Name: 3-nitro-4-[[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-nitro-4-[[5-phenyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzamide CAS Name: 3-nitro-4-[[[1-(2-oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]methyl]benzamide IUPAC Name: 3-nitro-4-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]benzamide Traditional Name: 3-nitro-4-[[[5-phenyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]methyl]benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=CN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CN2C(=CN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4S/c23-21(27)16-8-9-17(19(11-16)26(28)29)14-31-22-24-12-20(15-5-2-1-3-6-15)25(22)13-18-7-4-10-30-18/h1-3,5-6,8-9,11-12,18H,4,7,10,13-14H2,(H2,23,27)