1-(4-ethoxyphenyl)-N-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: 1-(4-ethoxyphenyl)-N-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(4-ethoxyphenyl)-N-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(4-ethoxyphenyl)-N-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-(4-ethoxyphenyl)-N-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(3-fluorophenyl)-1-p-phenetyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C22H22FN3OS MolecularWeight: 395.492983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC(=CC=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC(=CC=C4)F

InChI

InChI=1S/C22H22FN3OS/c1-2-27-19-10-8-16(9-11-19)21-20-7-4-12-25(20)13-14-26(21)22(28)24-18-6-3-5-17(23)15-18/h3-12,15,21H,2,13-14H2,1H3,(H,24,28)