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

Systemtic Name: N-(2-methylphenyl)-1-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(4-nitrophenyl)-N-(o-tolyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(2-methylphenyl)-1-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(2-methylphenyl)-1-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: 1-(4-nitrophenyl)-N-(o-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=CC=C1NC(=S)N2CCN3C=CC=C3C2C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN3C=CC=C3C2C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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