N-[2-(4-methoxyphenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H23N3O2S/c1-26-20-9-5-17(6-10-20)11-13-22-21(25)16-27-15-18-3-7-19(8-4-18)24-14-2-12-23-24/h2-10,12,14H,11,13,15-16H2,1H3,(H,22,25)