N-(2-chloranyl-4-nitro-phenyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[4,5-dimethyl-1-(2-oxolanylmethyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[4,5-dimethyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]acetamide Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC3CCCO3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC3CCCO3)C

InChI

InChI=1S/C18H21ClN4O4S/c1-11-12(2)22(9-14-4-3-7-27-14)18(20-11)28-10-17(24)21-16-6-5-13(23(25)26)8-15(16)19/h5-6,8,14H,3-4,7,9-10H2,1-2H3,(H,21,24)