N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-5-methyl-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-5-methyl-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: 1-isopropyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-5-methyl-pyrazole-3-carboxamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-5-methyl-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: 1-isopropyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-5-methyl-pyrazole-3-carboxamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=NN1C(C)C)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H17N5O4S/c1-8(2)20-9(3)5-11(19-20)15(22)18-16-17-14-12(25-4)6-10(21(23)24)7-13(14)26-16/h5-8H,1-4H3,(H,17,18,22)