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

Systemtic Name: S-[3-cyano-2-(phenylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate Openeye Name: S-(2-benzylsulfanyl-3-cyano-indolizin-1-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-cyano-2-(phenylmethylthio)-1-indolizinyl] ester IUPAC Name: S-(2-benzylsulfanyl-3-cyanoindolizin-1-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(benzylthio)-3-cyano-indolizin-1-yl] ester Formula: C23H16N2OS2 MolecularWeight: 400.51594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(N3C=CC=CC3=C2SC(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(N3C=CC=CC3=C2SC(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H16N2OS2/c24-15-20-21(27-16-17-9-3-1-4-10-17)22(19-13-7-8-14-25(19)20)28-23(26)18-11-5-2-6-12-18/h1-14H,16H2