N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(p-tolylsulfanyl)pyrazin-2-yl]sulfanyl-acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[3-[(4-methylphenyl)thio]-2-pyrazinyl]thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[3-(p-tolylthio)pyrazin-2-yl]thio]acetamide Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=CN=C2SCC(=O)NCCC3=CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=CN=C2SCC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C21H25N3OS2/c1-16-7-9-18(10-8-16)27-21-20(23-13-14-24-21)26-15-19(25)22-12-11-17-5-3-2-4-6-17/h5,7-10,13-14H,2-4,6,11-12,15H2,1H3,(H,22,25)