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

Systemtic Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-[(4-fluorophenyl)thio]propionamide Formula: C22H21FN4O2S2 MolecularWeight: 456.556143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN4O2S2/c1-3-29-17-5-4-6-18-21(17)25-22(31-18)27-19(13-14(2)26-27)24-20(28)11-12-30-16-9-7-15(23)8-10-16/h4-10,13H,3,11-12H2,1-2H3,(H,24,28)