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

Systemtic Name: 1-(4-methylphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(4-nitrophenyl)-1-(p-tolyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(4-methylphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-(4-methylphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(4-nitrophenyl)-1-(p-tolyl)-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:

CC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O2S/c1-15-4-6-16(7-5-15)20-19-3-2-12-23(19)13-14-24(20)21(28)22-17-8-10-18(11-9-17)25(26)27/h2-12,20H,13-14H2,1H3,(H,22,28)