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

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

CC1=CC(=CC=C1)NC(=S)N2CCN3C=CC=C3C2C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN3C=CC=C3C2C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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