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

Systemtic Name: 2,5-dimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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)C4=C(C(=NN4C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C(=NN4C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O3S/c1-11-4-9-15-16(10-11)29-20(22-15)13-5-7-14(8-6-13)21-19(26)18-17(25(27)28)12(2)23-24(18)3/h4-10H,1-3H3,(H,21,26)