methyl 2-[4-methyl-1-(2-nitrophenyl)sulfanyl-5-oxidanylidene-4-propan-2-yl-imidazol-2-yl]benzoate

Systemtic Name: methyl 2-[4-methyl-1-(2-nitrophenyl)sulfanyl-5-oxidanylidene-4-propan-2-yl-imidazol-2-yl]benzoate Openeye Name: methyl 2-[4-isopropyl-4-methyl-1-(2-nitrophenyl)sulfanyl-5-oxo-imidazol-2-yl]benzoate CAS Name: 2-[4-methyl-1-[(2-nitrophenyl)thio]-5-oxo-4-propan-2-yl-2-imidazolyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-methyl-1-(2-nitrophenyl)sulfanyl-5-oxo-4-propan-2-ylimidazol-2-yl]benzoate Traditional Name: 2-[4-isopropyl-5-keto-4-methyl-1-[(2-nitrophenyl)thio]-2-imidazolin-2-yl]benzoic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)N(C(=N1)C2=CC=CC=C2C(=O)OC)SC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC(C)C1(C(=O)N(C(=N1)C2=CC=CC=C2C(=O)OC)SC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H21N3O5S/c1-13(2)21(3)20(26)23(30-17-12-8-7-11-16(17)24(27)28)18(22-21)14-9-5-6-10-15(14)19(25)29-4/h5-13H,1-4H3