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

Systemtic Name: N-methyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-methyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-methyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-methyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-methyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN2C=CC=C2C1C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)N1CCN2C=CC=C2C1C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O2S/c1-16-15(22)18-9-8-17-7-3-6-13(17)14(18)11-4-2-5-12(10-11)19(20)21/h2-7,10,14H,8-9H2,1H3,(H,16,22)