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

Systemtic Name: N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]-2-nitro-benzamide Openeye Name: N-[2-[4-(3-methoxyphenyl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]-2-nitro-benzamide CAS Name: N-[2-[4-(3-methoxyphenyl)-2-thiazolyl]-5-methyl-3-pyrazolyl]-2-nitrobenzamide IUPAC Name: N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-nitrobenzamide Traditional Name: N-[2-[4-(3-methoxyphenyl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]-2-nitro-benzamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O4S/c1-13-10-19(23-20(27)16-8-3-4-9-18(16)26(28)29)25(24-13)21-22-17(12-31-21)14-6-5-7-15(11-14)30-2/h3-12H,1-2H3,(H,23,27)