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

Systemtic Name: (1S)-N-(4-bromophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-(4-bromophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-(4-bromophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-(4-bromophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-(4-bromophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C20H18BrN3S MolecularWeight: 412.34602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CN21)C3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN([C@H](C2=CC=CN21)C3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3S/c21-16-8-10-17(11-9-16)22-20(25)24-14-13-23-12-4-7-18(23)19(24)15-5-2-1-3-6-15/h1-12,19H,13-14H2,(H,22,25)/t19-/m0/s1