2-[1-[4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]propoxy]ethyl ethanoate

Systemtic Name: 2-[1-[4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]propoxy]ethyl ethanoate Openeye Name: 2-[1-[5-isopropyl-4-(3-nitrophenyl)sulfanyl-1H-imidazol-2-yl]propoxy]ethyl acetate CAS Name: acetic acid 2-[1-[4-[(3-nitrophenyl)thio]-5-propan-2-yl-1H-imidazol-2-yl]propoxy]ethyl ester IUPAC Name: 2-[1-[4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]propoxy]ethyl acetate Traditional Name: acetic acid 2-[1-[5-isopropyl-4-[(3-nitrophenyl)thio]-1H-imidazol-2-yl]propoxy]ethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(=C(N1)C(C)C)SC2=CC=CC(=C2)[N+](=O)[O-])OCCOC(=O)C

Isomeric SMILES

CCC(C1=NC(=C(N1)C(C)C)SC2=CC=CC(=C2)[N+](=O)[O-])OCCOC(=O)C

InChI

InChI=1S/C19H25N3O5S/c1-5-16(27-10-9-26-13(4)23)18-20-17(12(2)3)19(21-18)28-15-8-6-7-14(11-15)22(24)25/h6-8,11-12,16H,5,9-10H2,1-4H3,(H,20,21)