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

Systemtic Name: (1S)-N-ethyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-ethyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-ethyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-ethyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-ethyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNC(=S)N1CCN2C=CC=C2[C@@H]1C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O2S/c1-2-17-16(23)19-10-9-18-8-4-7-14(18)15(19)12-5-3-6-13(11-12)20(21)22/h3-8,11,15H,2,9-10H2,1H3,(H,17,23)/t15-/m0/s1