3,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-3,5-dimethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]pyrazole-4-carboxamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C21H20N4OS2/c1-13-19(14(2)25(24-13)12-15-7-5-4-6-8-15)20(26)22-16-9-10-17-18(11-16)28-21(23-17)27-3/h4-11H,12H2,1-3H3,(H,22,26)