4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H21N5O3S MolecularWeight: 435.49884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

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