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

Systemtic Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-methylpyrazole-3-carboxamide Traditional Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-methyl-pyrazole-3-carboxamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O4S/c1-3-25-9-8-20-13-5-4-11(21(23)24)10-14(13)26-16(20)17-15(22)12-6-7-19(2)18-12/h4-7,10H,3,8-9H2,1-2H3