N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C21H17N5O5S MolecularWeight: 451.45518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H17N5O5S/c1-30-18-7-6-13(10-19(18)31-2)17-12-32-21(22-17)23-20(27)16-8-9-25(24-16)14-4-3-5-15(11-14)26(28)29/h3-12H,1-2H3,(H,22,23,27)