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

Systemtic Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(phenylthio)propionamide 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)CCSC4=CC=CC=C4

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S2/c1-3-28-17-10-7-11-18-21(17)24-22(30-18)26-19(14-15(2)25-26)23-20(27)12-13-29-16-8-5-4-6-9-16/h4-11,14H,3,12-13H2,1-2H3,(H,23,27)