2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N5O4S/c1-4-25-11-5-6-12-13(7-11)26-16(17-12)18-14(22)8-20-10(3)15(21(23)24)9(2)19-20/h5-7H,4,8H2,1-3H3,(H,17,18,22)