S-[3-cyano-7-methyl-2-(phenylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate

Systemtic Name: S-[3-cyano-7-methyl-2-(phenylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate Openeye Name: S-(2-benzylsulfanyl-3-cyano-7-methyl-indolizin-1-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-cyano-7-methyl-2-(phenylmethylthio)-1-indolizinyl] ester IUPAC Name: S-(2-benzylsulfanyl-3-cyano-7-methylindolizin-1-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(benzylthio)-3-cyano-7-methyl-indolizin-1-yl] ester Formula: C24H18N2OS2 MolecularWeight: 414.54252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N2C=C1)C#N)SCC3=CC=CC=C3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C(=C(N2C=C1)C#N)SCC3=CC=CC=C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H18N2OS2/c1-17-12-13-26-20(14-17)23(29-24(27)19-10-6-3-7-11-19)22(21(26)15-25)28-16-18-8-4-2-5-9-18/h2-14H,16H2,1H3