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

Systemtic Name: 5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide Openeye Name: 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide CAS Name: 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide Traditional Name: 5-chloro-1-(4-fluorobenzyl)-3-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]pyrazole-4-carboxamide Formula: C20H16ClFN4OS2 MolecularWeight: 446.948643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SC)Cl)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SC)Cl)CC4=CC=C(C=C4)F

InChI

InChI=1S/C20H16ClFN4OS2/c1-11-17(18(21)26(25-11)10-12-3-5-13(22)6-4-12)19(27)23-14-7-8-15-16(9-14)29-20(24-15)28-2/h3-9H,10H2,1-2H3,(H,23,27)