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

Systemtic Name: 1-(3-nitrophenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(3-nitrophenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(3-nitrophenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-(3-nitrophenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: 1-(3-nitrophenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C20H17N5O4S MolecularWeight: 423.44508

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O4S/c26-24(27)16-8-6-15(7-9-16)21-20(30)23-12-11-22-10-2-5-18(22)19(23)14-3-1-4-17(13-14)25(28)29/h1-10,13,19H,11-12H2,(H,21,30)