S-(4-bromophenyl) 2-[(5-azanyl-2-oxidanylidene-1,9b-dihydropyrido[4,3-a]pyrrolizin-4-yl)sulfanyl]ethanethioate

Systemtic Name: S-(4-bromophenyl) 2-[(5-azanyl-2-oxidanylidene-1,9b-dihydropyrido[4,3-a]pyrrolizin-4-yl)sulfanyl]ethanethioate Openeye Name: S-(4-bromophenyl) 2-[(5-amino-2-oxo-1,9b-dihydropyrido[4,3-a]pyrrolizin-4-yl)sulfanyl]ethanethioate CAS Name: 2-[(5-amino-2-oxo-1,9b-dihydropyrido[4,3-a]pyrrolizin-4-yl)thio]ethanethioic acid S-(4-bromophenyl) ester IUPAC Name: S-(4-bromophenyl) 2-[(5-amino-2-oxo-1,9b-dihydropyrido[4,3-a]pyrrolizin-4-yl)sulfanyl]ethanethioate Traditional Name: 2-[(5-amino-2-keto-1,9b-dihydropyrido[4,3-a]pyrrolizin-4-yl)thio]ethanethioic acid S-(4-bromophenyl) ester Formula: C18H14BrN3O2S2 MolecularWeight: 448.35666

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C3=CC=CN3C(=C2C(=NC1=O)SCC(=O)SC4=CC=C(C=C4)Br)N

Isomeric SMILES

C1C2C3=CC=CN3C(=C2C(=NC1=O)SCC(=O)SC4=CC=C(C=C4)Br)N

InChI

InChI=1S/C18H14BrN3O2S2/c19-10-3-5-11(6-4-10)26-15(24)9-25-18-16-12(8-14(23)21-18)13-2-1-7-22(13)17(16)20/h1-7,12H,8-9,20H2