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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propionamide Formula: C23H23N5O3S MolecularWeight: 449.52542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H23N5O3S/c1-13-5-10-19-20(11-13)32-23(25-19)17-6-8-18(9-7-17)24-22(29)14(2)12-27-16(4)21(28(30)31)15(3)26-27/h5-11,14H,12H2,1-4H3,(H,24,29)