2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[4,5-dimethyl-1-(2-oxolanylmethyl)-2-imidazolyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[4,5-dimethyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-12-13(2)21(10-16-7-4-8-26-16)18(19-12)27-11-17(23)20-14-5-3-6-15(9-14)22(24)25/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3,(H,20,23)