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

Systemtic Name: 5-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-[2-[(2-cyanobenzyl)thio]ethyl]-3-methyl-pyrazole-4-carboxamide Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCSCC2=CC=CC=C2C#N)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCSCC2=CC=CC=C2C#N)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H21ClN4OS/c1-16-20(21(23)27(26-16)14-17-7-3-2-4-8-17)22(28)25-11-12-29-15-19-10-6-5-9-18(19)13-24/h2-10H,11-12,14-15H2,1H3,(H,25,28)