N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CCOC

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CCOC

InChI

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