1,3,5-trimethyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 1,3,5-trimethyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1,3,5-trimethyl-pyrazole-4-carboxamide CAS Name: 1,3,5-trimethyl-N-[2-(phenylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1,3,5-trimethylpyrazole-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1,3,5-trimethyl-pyrazole-4-carboxamide Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3OS/c1-12-15(13(2)19(3)18-12)16(20)17-9-10-21-11-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,17,20)