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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-ethyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-ethyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-ethylbenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-ethylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-ethyl-benzamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H21N5O3S/c1-4-25(22-23-18-7-5-6-8-19(18)31-22)21(28)17-11-9-16(10-12-17)13-26-15(3)20(27(29)30)14(2)24-26/h5-12H,4,13H2,1-3H3