N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C19H24N4OS/c1-14-18(15(2)23(3)22-14)8-9-19(24)21-10-11-25-13-17-7-5-4-6-16(17)12-20/h4-7H,8-11,13H2,1-3H3,(H,21,24)