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

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-[(4-fluorophenyl)thio]butyramide Formula: C21H18ClFN4OS2 MolecularWeight: 460.975223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CCCSC2=CC=C(C=C2)F)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CCCSC2=CC=C(C=C2)F)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C21H18ClFN4OS2/c1-13-12-18(24-19(28)6-3-11-29-15-9-7-14(23)8-10-15)27(26-13)21-25-20-16(22)4-2-5-17(20)30-21/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,24,28)