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

Systemtic Name: S-[3-cyano-7-methyl-2-(naphthalen-1-ylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate Openeye Name: S-[3-cyano-7-methyl-2-(1-naphthylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-cyano-7-methyl-2-(1-naphthalenylmethylthio)-1-indolizinyl] ester IUPAC Name: S-[3-cyano-7-methyl-2-(naphthalen-1-ylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-cyano-7-methyl-2-(1-naphthylmethylthio)indolizin-1-yl] ester Formula: C28H20N2OS2 MolecularWeight: 464.6012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N2C=C1)C#N)SCC3=CC=CC4=CC=CC=C43)SC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C(=C(N2C=C1)C#N)SCC3=CC=CC4=CC=CC=C43)SC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H20N2OS2/c1-19-14-15-30-24(16-19)27(33-28(31)21-9-3-2-4-10-21)26(25(30)17-29)32-18-22-12-7-11-20-8-5-6-13-23(20)22/h2-16H,18H2,1H3