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

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

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)CCN4C(=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)CCN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H21N5O3S/c1-13-4-9-18-19(12-13)31-22(24-18)16-5-7-17(8-6-16)23-20(28)10-11-26-15(3)21(27(29)30)14(2)25-26/h4-9,12H,10-11H2,1-3H3,(H,23,28)