N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-methylsulfanyl-benzamide

Systemtic Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-methylsulfanyl-benzamide Openeye Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-methylsulfanyl-benzamide CAS Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-(methylthio)benzamide IUPAC Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methylsulfanylbenzamide Traditional Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(methylthio)benzamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S2/c1-4-27-16-6-5-7-17-19(16)23-21(29-17)25-18(12-13(2)24-25)22-20(26)14-8-10-15(28-3)11-9-14/h5-12H,4H2,1-3H3,(H,22,26)