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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]-4-nitro-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]-4-nitro-benzamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-5-methyl-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-nitrobenzamide Traditional Name: N-[2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]-4-nitro-benzamide Formula: C21H15N5O5S MolecularWeight: 449.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H15N5O5S/c1-12-8-19(23-20(27)13-2-5-15(6-3-13)26(28)29)25(24-12)21-22-16(10-32-21)14-4-7-17-18(9-14)31-11-30-17/h2-10H,11H2,1H3,(H,23,27)