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

Systemtic Name: 1-(3-nitrophenyl)-N-(phenylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-benzyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(3-nitrophenyl)-N-(phenylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-benzyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-benzyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CN21)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(C2=CC=CN21)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c26-25(27)18-9-4-8-17(14-18)20-19-10-5-11-23(19)12-13-24(20)21(28)22-15-16-6-2-1-3-7-16/h1-11,14,20H,12-13,15H2,(H,22,28)