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

Systemtic Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-ethylsulfanyl-benzamide Openeye Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-ethylsulfanyl-benzamide CAS Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-2-(ethylthio)benzamide IUPAC Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-ethylsulfanylbenzamide Traditional Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(ethylthio)benzamide 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)C4=CC=CC=C4SCC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=CC=C4SCC

InChI

InChI=1S/C22H22N4O2S2/c1-4-28-16-10-8-12-18-20(16)24-22(30-18)26-19(13-14(3)25-26)23-21(27)15-9-6-7-11-17(15)29-5-2/h6-13H,4-5H2,1-3H3,(H,23,27)