[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N4O4S/c1-11-4-6-14(7-5-11)18-19-15(10-27-18)9-26-16(23)8-21-13(3)17(22(24)25)12(2)20-21/h4-7,10H,8-9H2,1-3H3