N-(3,5-dimethylphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-15-11-16(2)13-18(12-15)23-22(29)25-10-9-24-8-4-7-20(24)21(25)17-5-3-6-19(14-17)26(27)28/h3-8,11-14,21H,9-10H2,1-2H3,(H,23,29)