5-chloranyl-3-methyl-1-phenyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-phenyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-phenyl-N-[2-(phenylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCSCC2=CC=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCSCC2=CC=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3OS/c1-15-18(19(21)24(23-15)17-10-6-3-7-11-17)20(25)22-12-13-26-14-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,22,25)