N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-isopropyl-pyrazole-3-carboxamide CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-isopropyl-pyrazole-3-carboxamide Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=NN(C=C3)C(C)C

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=NN(C=C3)C(C)C

InChI

InChI=1S/C18H21N5O4S/c1-4-27-10-9-21-15-6-5-13(23(25)26)11-16(15)28-18(21)19-17(24)14-7-8-22(20-14)12(2)3/h5-8,11-12H,4,9-10H2,1-3H3