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

Systemtic Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(p-tolylsulfanyl)butanamide CAS Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(p-tolylthio)butyramide Formula: C24H26N4OS2 MolecularWeight: 450.61944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=CC(=NN2C3=NC4=C(C=C(C=C4S3)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=CC(=NN2C3=NC4=C(C=C(C=C4S3)C)C)C

InChI

InChI=1S/C24H26N4OS2/c1-15-7-9-19(10-8-15)30-11-5-6-22(29)25-21-14-18(4)27-28(21)24-26-23-17(3)12-16(2)13-20(23)31-24/h7-10,12-14H,5-6,11H2,1-4H3,(H,25,29)