N-(2-ethyl-6-methyl-phenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(2-ethyl-6-methylphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N2CCN3C=CC=C3C2C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N2CCN3C=CC=C3C2C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H24N4O2S/c1-3-17-8-4-7-16(2)21(17)24-23(30)26-14-13-25-12-6-11-20(25)22(26)18-9-5-10-19(15-18)27(28)29/h4-12,15,22H,3,13-14H2,1-2H3,(H,24,30)