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

Systemtic Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-nitrophenyl)propanamide Openeye Name: 2-[4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-nitrophenyl)propanamide CAS Name: 2-[[4,5-dimethyl-1-(2-oxolanylmethyl)-2-imidazolyl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: 2-[[4,5-dimethyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]-N-(4-nitrophenyl)propionamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S/c1-12-13(2)22(11-17-5-4-10-27-17)19(20-12)28-14(3)18(24)21-15-6-8-16(9-7-15)23(25)26/h6-9,14,17H,4-5,10-11H2,1-3H3,(H,21,24)