5-azanylidene-4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-N-phenyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide

Systemtic Name: 5-azanylidene-4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-N-phenyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Openeye Name: 4-[(4-fluorophenyl)methylsulfanyl]-5-imino-2-methyl-N-phenyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide CAS Name: 4-[(4-fluorophenyl)methylthio]-5-imino-2-methyl-N-phenyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide IUPAC Name: 4-[(4-fluorophenyl)methylsulfanyl]-5-imino-2-methyl-N-phenyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Traditional Name: 4-[(4-fluorobenzyl)thio]-5-imino-2-methyl-N-phenyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Formula: C25H20FN3OS2 MolecularWeight: 461.574203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2C3=CC=CN3C(=N)C2=C(S1)SCC4=CC=C(C=C4)F)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2C3=CC=CN3C(=N)C2=C(S1)SCC4=CC=C(C=C4)F)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H20FN3OS2/c1-15-20(24(30)28-18-6-3-2-4-7-18)21-19-8-5-13-29(19)23(27)22(21)25(32-15)31-14-16-9-11-17(26)12-10-16/h2-13,21,27H,14H2,1H3,(H,28,30)