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

Systemtic Name: 2-[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-2-yl]ethyl carbamate Openeye Name: 2-[1-ethyl-4-isopropyl-5-(3-nitrophenyl)sulfanyl-imidazol-2-yl]ethyl carbamate CAS Name: carbamic acid 2-[1-ethyl-5-[(3-nitrophenyl)thio]-4-propan-2-yl-2-imidazolyl]ethyl ester IUPAC Name: 2-[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]ethyl carbamate Traditional Name: carbamic acid 2-[1-ethyl-4-isopropyl-5-[(3-nitrophenyl)thio]imidazol-2-yl]ethyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4S/c1-4-20-14(8-9-25-17(18)22)19-15(11(2)3)16(20)26-13-7-5-6-12(10-13)21(23)24/h5-7,10-11H,4,8-9H2,1-3H3,(H2,18,22)