3-methyl-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 3-methyl-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 3-methyl-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-methyl-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 3-methyl-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-phenylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 3-methyl-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C21H15N5O5S MolecularWeight: 449.4393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N/N=C\C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H15N5O5S/c1-12-15-8-19(32-21(15)25(24-12)14-5-3-2-4-6-14)20(27)23-22-10-13-7-17-18(31-11-30-17)9-16(13)26(28)29/h2-10H,11H2,1H3,(H,23,27)/b22-10-