2-[1-[4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]ethoxy]ethanol

Systemtic Name: 2-[1-[4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]ethoxy]ethanol Openeye Name: 2-[1-[5-isopropyl-4-(3-nitrophenyl)sulfanyl-1H-imidazol-2-yl]ethoxy]ethanol CAS Name: 2-[1-[4-[(3-nitrophenyl)thio]-5-propan-2-yl-1H-imidazol-2-yl]ethoxy]ethanol IUPAC Name: 2-[1-[4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]ethoxy]ethanol Traditional Name: 2-[1-[5-isopropyl-4-[(3-nitrophenyl)thio]-1H-imidazol-2-yl]ethoxy]ethanol Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C(N1)C(C)OCCO)SC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(N=C(N1)C(C)OCCO)SC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4S/c1-10(2)14-16(18-15(17-14)11(3)23-8-7-20)24-13-6-4-5-12(9-13)19(21)22/h4-6,9-11,20H,7-8H2,1-3H3,(H,17,18)