2-[7,8-bis(ethylsulfanyl)-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl]ethanenitrile

Systemtic Name: 2-[7,8-bis(ethylsulfanyl)-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl]ethanenitrile Openeye Name: 2-[7,8-bis(ethylsulfanyl)-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile CAS Name: 2-[7,8-bis(ethylthio)-1-phenethyl-6-pyrrolo[1,2-a]pyrazinyl]acetonitrile IUPAC Name: 2-[7,8-bis(ethylsulfanyl)-1-phenethylpyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Traditional Name: 2-[7,8-bis(ethylthio)-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Formula: C21H23N3S2 MolecularWeight: 381.55742

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N2C=CN=C(C2=C1SCC)CCC3=CC=CC=C3)CC#N

Isomeric SMILES

CCSC1=C(N2C=CN=C(C2=C1SCC)CCC3=CC=CC=C3)CC#N

InChI

InChI=1S/C21H23N3S2/c1-3-25-20-18(12-13-22)24-15-14-23-17(19(24)21(20)26-4-2)11-10-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-12H2,1-2H3