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

Systemtic Name: N-(3-bromophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(3-bromophenyl)-1-(p-tolyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(3-bromophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(3-bromophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(3-bromophenyl)-1-(p-tolyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C21H20BrN3S MolecularWeight: 426.3726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H20BrN3S/c1-15-7-9-16(10-8-15)20-19-6-3-11-24(19)12-13-25(20)21(26)23-18-5-2-4-17(22)14-18/h2-11,14,20H,12-13H2,1H3,(H,23,26)