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

Systemtic Name: N-(4-iodophenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(4-iodophenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(4-iodophenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(4-iodophenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(4-iodophenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C20H17IN4O2S MolecularWeight: 504.34405

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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=C(C=C4)I

Isomeric SMILES

C1CN(C(C2=CC=CN21)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NC4=CC=C(C=C4)I

InChI

InChI=1S/C20H17IN4O2S/c21-15-6-8-16(9-7-15)22-20(28)24-12-11-23-10-2-5-18(23)19(24)14-3-1-4-17(13-14)25(26)27/h1-10,13,19H,11-12H2,(H,22,28)