1-methyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 1-methyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-methyl-pyrazole-4-carboxamide CAS Name: 1-methyl-N-[2-(phenylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-methylpyrazole-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-methyl-pyrazole-4-carboxamide Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CN1C=C(C=N1)C(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C14H17N3OS/c1-17-10-13(9-16-17)14(18)15-7-8-19-11-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3,(H,15,18)