N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-[4-(4-ethoxyphenyl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-[4-(4-ethoxyphenyl)-2-thiazolyl]-5-methyl-3-pyrazolyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide Traditional Name: 2-methyl-N-[5-methyl-2-(4-p-phenetylthiazol-2-yl)pyrazol-3-yl]-3-nitro-benzamide Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=N2)N3C(=CC(=N3)C)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=N2)N3C(=CC(=N3)C)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H21N5O4S/c1-4-32-17-10-8-16(9-11-17)19-13-33-23(24-19)27-21(12-14(2)26-27)25-22(29)18-6-5-7-20(15(18)3)28(30)31/h5-13H,4H2,1-3H3,(H,25,29)