5-(3-nitrophenyl)sulfanyl-2-(phenylmethoxymethyl)-4-propan-2-yl-1-propyl-imidazole

Systemtic Name: 5-(3-nitrophenyl)sulfanyl-2-(phenylmethoxymethyl)-4-propan-2-yl-1-propyl-imidazole Openeye Name: 2-(benzyloxymethyl)-4-isopropyl-5-(3-nitrophenyl)sulfanyl-1-propyl-imidazole CAS Name: 5-[(3-nitrophenyl)thio]-2-(phenylmethoxymethyl)-4-propan-2-yl-1-propylimidazole IUPAC Name: 5-(3-nitrophenyl)sulfanyl-2-(phenylmethoxymethyl)-4-propan-2-yl-1-propylimidazole Traditional Name: 2-(benzoxymethyl)-4-isopropyl-5-[(3-nitrophenyl)thio]-1-propyl-imidazole Formula: C23H27N3O3S MolecularWeight: 425.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C)COCC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NC(=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C)COCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3S/c1-4-13-25-21(16-29-15-18-9-6-5-7-10-18)24-22(17(2)3)23(25)30-20-12-8-11-19(14-20)26(27)28/h5-12,14,17H,4,13,15-16H2,1-3H3