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

Systemtic Name: N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]-2-nitro-benzamide Openeye Name: N-[2-[4-(4-ethoxyphenyl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]-2-nitro-benzamide CAS Name: N-[2-[4-(4-ethoxyphenyl)-2-thiazolyl]-5-methyl-3-pyrazolyl]-2-nitrobenzamide IUPAC Name: N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-nitrobenzamide Traditional Name: N-[5-methyl-2-(4-p-phenetylthiazol-2-yl)pyrazol-3-yl]-2-nitro-benzamide Formula: C22H19N5O4S MolecularWeight: 449.48236

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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=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O4S/c1-3-31-16-10-8-15(9-11-16)18-13-32-22(23-18)26-20(12-14(2)25-26)24-21(28)17-6-4-5-7-19(17)27(29)30/h4-13H,3H2,1-2H3,(H,24,28)