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

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-[(4-fluorophenyl)thio]propionamide Formula: C20H16ClFN4OS2 MolecularWeight: 446.948643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CCSC2=CC=C(C=C2)F)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CCSC2=CC=C(C=C2)F)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C20H16ClFN4OS2/c1-12-11-17(23-18(27)9-10-28-14-7-5-13(22)6-8-14)26(25-12)20-24-19-15(21)3-2-4-16(19)29-20/h2-8,11H,9-10H2,1H3,(H,23,27)