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

Systemtic Name: N,1-bis(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N,1-bis(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N,1-bis(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N,1-bis(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N,1-bis(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=C(C=C3)[N+](=O)[O-])C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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