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

Systemtic Name: N-(5-chloranyl-1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-ethyl-benzamide Openeye Name: N-(5-chloro-1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-ethyl-benzamide CAS Name: N-(5-chloro-1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-ethylbenzamide IUPAC Name: N-(5-chloro-1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-ethylbenzamide Traditional Name: N-(5-chloro-1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-ethyl-benzamide Formula: C22H20ClN5O3S MolecularWeight: 469.9439

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=C(S1)C=CC(=C2)Cl)C(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CCN(C1=NC2=C(S1)C=CC(=C2)Cl)C(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H20ClN5O3S/c1-4-26(22-24-18-11-17(23)9-10-19(18)32-22)21(29)16-7-5-15(6-8-16)12-27-14(3)20(28(30)31)13(2)25-27/h5-11H,4,12H2,1-3H3