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

Systemtic Name: 5-chloranyl-3-methyl-1-(phenylmethyl)-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(2-benzylsulfanylethyl)-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-N-[2-(phenylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(2-benzylsulfanylethyl)-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(benzylthio)ethyl]-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCSCC2=CC=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCSCC2=CC=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3OS/c1-16-19(20(22)25(24-16)14-17-8-4-2-5-9-17)21(26)23-12-13-27-15-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3,(H,23,26)