N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide Openeye Name: N-[4-(3,4-dimethylphenyl)-5-methyl-thiazol-2-yl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide CAS Name: N-[4-(3,4-dimethylphenyl)-5-methyl-2-thiazolyl]-3-[(4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[4-(3,4-dimethylphenyl)-5-methyl-thiazol-2-yl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)[N+](=O)[O-])C)C

InChI

InChI=1S/C23H21N5O3S/c1-14-7-8-18(9-15(14)2)21-16(3)32-23(25-21)26-22(29)19-6-4-5-17(10-19)12-27-13-20(11-24-27)28(30)31/h4-11,13H,12H2,1-3H3,(H,25,26,29)