N-(1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-ethylphenyl)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-ethylphenyl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-ethylphenyl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(4-ethylphenyl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-ethylphenyl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-ethylphenyl)acetamide Formula: C22H21N5O3S MolecularWeight: 435.49884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

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