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

Systemtic Name: 1-(4-methoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(4-methoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(4-methoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-(4-methoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: 1-(4-methoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S/c1-28-18-10-4-15(5-11-18)20-19-3-2-12-23(19)13-14-24(20)21(29)22-16-6-8-17(9-7-16)25(26)27/h2-12,20H,13-14H2,1H3,(H,22,29)