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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCN3C=CC=C3C2C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN3C=CC=C3C2C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O2S/c1-14-17(22)7-3-8-18(14)23-21(29)25-12-11-24-10-4-9-19(24)20(25)15-5-2-6-16(13-15)26(27)28/h2-10,13,20H,11-12H2,1H3,(H,23,29)