N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-[(4-fluorophenyl)thio]propionamide Formula: C22H21FN4OS2 MolecularWeight: 440.556743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CCSC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CCSC4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H21FN4OS2/c1-13-10-14(2)21-18(11-13)30-22(25-21)27-19(12-15(3)26-27)24-20(28)8-9-29-17-6-4-16(23)5-7-17/h4-7,10-12H,8-9H2,1-3H3,(H,24,28)