1,3,5-trimethyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide

Systemtic Name: 1,3,5-trimethyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide Openeye Name: 1,3,5-trimethyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide CAS Name: 1,3,5-trimethyl-N-[3-(phenylthio)propyl]-4-pyrazolecarboxamide IUPAC Name: 1,3,5-trimethyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide Traditional Name: 1,3,5-trimethyl-N-[3-(phenylthio)propyl]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)NCCCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)NCCCSC2=CC=CC=C2

InChI

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