S-[3-cyano-2-(naphthalen-1-ylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate

Systemtic Name: S-[3-cyano-2-(naphthalen-1-ylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate Openeye Name: S-[3-cyano-2-(1-naphthylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-cyano-2-(1-naphthalenylmethylthio)-1-indolizinyl] ester IUPAC Name: S-[3-cyano-2-(naphthalen-1-ylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-cyano-2-(1-naphthylmethylthio)indolizin-1-yl] ester Formula: C27H18N2OS2 MolecularWeight: 450.57462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=C3C=CC=CN3C(=C2SCC4=CC=CC5=CC=CC=C54)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=C3C=CC=CN3C(=C2SCC4=CC=CC5=CC=CC=C54)C#N

InChI

InChI=1S/C27H18N2OS2/c28-17-24-25(31-18-21-13-8-12-19-9-4-5-14-22(19)21)26(23-15-6-7-16-29(23)24)32-27(30)20-10-2-1-3-11-20/h1-16H,18H2