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

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(p-tolylsulfanyl)butanamide CAS Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(p-tolylthio)butyramide Formula: C22H21ClN4OS2 MolecularWeight: 457.01134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=CC(=NN2C3=NC4=C(S3)C=CC=C4Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=CC(=NN2C3=NC4=C(S3)C=CC=C4Cl)C

InChI

InChI=1S/C22H21ClN4OS2/c1-14-8-10-16(11-9-14)29-12-4-7-20(28)24-19-13-15(2)26-27(19)22-25-21-17(23)5-3-6-18(21)30-22/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,24,28)