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

Systemtic Name: 2-methyl-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[5-methyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: 2-methyl-N-[5-methyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[5-methyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]-3-nitro-benzamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O3S/c1-13-11-19(23-20(27)16-9-6-10-18(14(16)2)26(28)29)25(24-13)21-22-17(12-30-21)15-7-4-3-5-8-15/h3-12H,1-2H3,(H,23,27)