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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]acetamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]acetamide Formula: C21H19ClN4OS2 MolecularWeight: 442.98476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CSC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CSC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H19ClN4OS2/c1-12-8-13(2)20-17(9-12)29-21(24-20)26-18(10-14(3)25-26)23-19(27)11-28-16-6-4-15(22)5-7-16/h4-10H,11H2,1-3H3,(H,23,27)