1-[[3-cyano-7-methyl-2-(phenylmethylsulfanyl)indolizin-1-yl]disulfanyl]-7-methyl-2-(phenylmethylsulfanyl)indolizine-3-carbonitrile

Systemtic Name: 1-[[3-cyano-7-methyl-2-(phenylmethylsulfanyl)indolizin-1-yl]disulfanyl]-7-methyl-2-(phenylmethylsulfanyl)indolizine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-1-[(2-benzylsulfanyl-3-cyano-7-methyl-indolizin-1-yl)disulfanyl]-7-methyl-indolizine-3-carbonitrile CAS Name: 1-[[3-cyano-7-methyl-2-(phenylmethylthio)-1-indolizinyl]disulfanyl]-7-methyl-2-(phenylmethylthio)-3-indolizinecarbonitrile IUPAC Name: 2-benzylsulfanyl-1-[(2-benzylsulfanyl-3-cyano-7-methylindolizin-1-yl)disulfanyl]-7-methylindolizine-3-carbonitrile Traditional Name: 2-(benzylthio)-1-[[2-(benzylthio)-3-cyano-7-methyl-indolizin-1-yl]disulfanyl]-7-methyl-indolizine-3-carbonitrile Formula: C34H26N4S4 MolecularWeight: 618.85704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N2C=C1)C#N)SCC3=CC=CC=C3)SSC4=C5C=C(C=CN5C(=C4SCC6=CC=CC=C6)C#N)C

Isomeric SMILES

CC1=CC2=C(C(=C(N2C=C1)C#N)SCC3=CC=CC=C3)SSC4=C5C=C(C=CN5C(=C4SCC6=CC=CC=C6)C#N)C

InChI

InChI=1S/C34H26N4S4/c1-23-13-15-37-27(17-23)33(31(29(37)19-35)39-21-25-9-5-3-6-10-25)41-42-34-28-18-24(2)14-16-38(28)30(20-36)32(34)40-22-26-11-7-4-8-12-26/h3-18H,21-22H2,1-2H3