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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H25N3OS/c24-20(21-13-11-17-5-2-1-3-6-17)16-25-15-18-7-9-19(10-8-18)23-14-4-12-22-23/h4-5,7-10,12,14H,1-3,6,11,13,15-16H2,(H,21,24)