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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C26H21N5O3S MolecularWeight: 483.54164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H21N5O3S/c1-16-24(31(33)34)17(2)30(29-16)15-18-11-13-19(14-12-18)25(32)27-21-8-4-3-7-20(21)26-28-22-9-5-6-10-23(22)35-26/h3-14H,15H2,1-2H3,(H,27,32)