N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1,2,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1,2,3-benzothiadiazole-5-carboxamide Openeye Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1,2,3-benzothiadiazole-5-carboxamide CAS Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazolyl]-1,2,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1,2,3-benzothiadiazole-5-carboxamide Traditional Name: N-(1-homoveratrylpyrazol-4-yl)-1,2,3-benzothiadiazole-5-carboxamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)C3=CC4=C(C=C3)SN=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)C3=CC4=C(C=C3)SN=N4)OC

InChI

InChI=1S/C20H19N5O3S/c1-27-17-5-3-13(9-18(17)28-2)7-8-25-12-15(11-21-25)22-20(26)14-4-6-19-16(10-14)23-24-29-19/h3-6,9-12H,7-8H2,1-2H3,(H,22,26)