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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(N1C(C)C)COCC2=CC=CC=C2)SC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(N=C(N1C(C)C)COCC2=CC=CC=C2)SC3=CC=CC(=C3)[N+](=O)[O-]

InChI

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