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

Systemtic Name: N-(2-chlorophenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(2-chlorophenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(2-chlorophenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(2-chlorophenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(2-chlorophenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CN21)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(C(C2=CC=CN21)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NC4=CC=CC=C4Cl

InChI

InChI=1S/C20H17ClN4O2S/c21-16-7-1-2-8-17(16)22-20(28)24-12-11-23-10-4-9-18(23)19(24)14-5-3-6-15(13-14)25(26)27/h1-10,13,19H,11-12H2,(H,22,28)