1-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(phenylthio)ethanone IUPAC Name: 1-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-phenylsulfanylethanone Traditional Name: 1-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(phenylthio)ethanone Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=O)CSC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C25H28N2OS/c1-25(2,3)20-13-11-19(12-14-20)24-22-10-7-15-26(22)16-17-27(24)23(28)18-29-21-8-5-4-6-9-21/h4-15,24H,16-18H2,1-3H3