N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(4,5-dimethylthiazol-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(4,5-dimethyl-2-thiazolyl)-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(4,5-dimethylthiazol-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C16H15N5O4S/c1-10-11(2)26-16(17-10)18-15(22)12-7-8-20(19-12)9-25-14-6-4-3-5-13(14)21(23)24/h3-8H,9H2,1-2H3,(H,17,18,22)