N-(4-methyl-3,5-dinitro-phenyl)-7-thiophen-2-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-(4-methyl-3,5-dinitro-phenyl)-7-thiophen-2-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-(4-methyl-3,5-dinitro-phenyl)-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-(4-methyl-3,5-dinitrophenyl)-7-thiophen-2-yl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-(4-methyl-3,5-dinitrophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-(4-methyl-3,5-dinitro-phenyl)-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C18H12N6O5S MolecularWeight: 424.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=C3N=CC=C(N3N=C2)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=C3N=CC=C(N3N=C2)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O5S/c1-10-14(23(26)27)7-11(8-15(10)24(28)29)21-18(25)12-9-20-22-13(4-5-19-17(12)22)16-3-2-6-30-16/h2-9H,1H3,(H,21,25)