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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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