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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4S/c1-11(2)15-16(26-13-7-4-6-12(10-13)21(23)24)20(3)14(19-15)8-5-9-25-17(18)22/h4,6-7,10-11H,5,8-9H2,1-3H3,(H2,18,22)