3-[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-2-yl]propyl carbamate

Systemtic Name: 3-[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-2-yl]propyl carbamate Openeye Name: 3-[1-ethyl-4-isopropyl-5-(3-nitrophenyl)sulfanyl-imidazol-2-yl]propyl carbamate CAS Name: carbamic acid 3-[1-ethyl-5-[(3-nitrophenyl)thio]-4-propan-2-yl-2-imidazolyl]propyl ester IUPAC Name: 3-[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]propyl carbamate Traditional Name: carbamic acid 3-[1-ethyl-4-isopropyl-5-[(3-nitrophenyl)thio]imidazol-2-yl]propyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C)CCCOC(=O)N

Isomeric SMILES

CCN1C(=NC(=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C)CCCOC(=O)N

InChI

InChI=1S/C18H24N4O4S/c1-4-21-15(9-6-10-26-18(19)23)20-16(12(2)3)17(21)27-14-8-5-7-13(11-14)22(24)25/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H2,19,23)