1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-pyrazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-3,5-dimethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]pyrazole-4-carboxamide Formula: C21H19ClN4OS2 MolecularWeight: 442.98476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

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