N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H22N4O3S2/c1-4-29-16-10-11-17-18(12-16)31-22(23-17)30-13-19(27)24-20-14(2)25(3)26(21(20)28)15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3,(H,24,27)