N-(6-nitro-1,3-benzothiazol-2-yl)-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: 1-isopropyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: 1-isopropyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=CC(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3S/c1-8(2)18-6-5-11(17-18)13(20)16-14-15-10-4-3-9(19(21)22)7-12(10)23-14/h3-8H,1-2H3,(H,15,16,20)