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

Systemtic Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-[(4-fluorophenyl)thio]butyramide Formula: C23H23FN4OS2 MolecularWeight: 454.583323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CCCSC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CCCSC4=CC=C(C=C4)F)C

InChI

InChI=1S/C23H23FN4OS2/c1-14-11-15(2)22-19(12-14)31-23(26-22)28-20(13-16(3)27-28)25-21(29)5-4-10-30-18-8-6-17(24)7-9-18/h6-9,11-13H,4-5,10H2,1-3H3,(H,25,29)