N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(p-tolylsulfanyl)acetamide CAS Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(p-tolylthio)acetamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CSC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CSC4=CC=C(C=C4)C

InChI

InChI=1S/C22H22N4O2S2/c1-4-28-17-6-5-7-18-21(17)24-22(30-18)26-19(12-15(3)25-26)23-20(27)13-29-16-10-8-14(2)9-11-16/h5-12H,4,13H2,1-3H3,(H,23,27)