ethyl 2-[5-(2-methylpropyl)-3-(4-nitrophenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[5-(2-methylpropyl)-3-(4-nitrophenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethanoate Openeye Name: ethyl 2-[5-isobutyl-3-(4-nitrophenyl)-2-thioxo-1H-imidazol-4-yl]acetate CAS Name: 2-[5-(2-methylpropyl)-3-(4-nitrophenyl)-2-sulfanylidene-1H-imidazol-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-methylpropyl)-3-(4-nitrophenyl)-2-sulfanylidene-1H-imidazol-4-yl]acetate Traditional Name: 2-[5-isobutyl-3-(4-nitrophenyl)-2-thioxo-4-imidazolin-4-yl]acetic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(NC(=S)N1C2=CC=C(C=C2)[N+](=O)[O-])CC(C)C

Isomeric SMILES

CCOC(=O)CC1=C(NC(=S)N1C2=CC=C(C=C2)[N+](=O)[O-])CC(C)C

InChI

InChI=1S/C17H21N3O4S/c1-4-24-16(21)10-15-14(9-11(2)3)18-17(25)19(15)12-5-7-13(8-6-12)20(22)23/h5-8,11H,4,9-10H2,1-3H3,(H,18,25)