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

Systemtic Name: 4-methyl-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[5-methyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: 4-methyl-N-[5-methyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-3-nitrobenzamide Traditional Name: 4-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=C(C=C(C=C1)C(=O)NC2=CC(=NN2C3=NC(=CS3)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2C3=NC(=CS3)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

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