2-[[5-[(1-cyanoindolizin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[5-[(1-cyanoindolizin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[[5-[(1-cyanoindolizin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[[5-[(1-cyano-2-indolizinyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[5-[(1-cyanoindolizin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[[5-[(1-cyanoindolizin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]indolizine-1-carbonitrile Formula: C22H14N6S3 MolecularWeight: 458.58176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)CSC3=NN=C(S3)SCC4=CN5C=CC=CC5=C4C#N)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)CSC3=NN=C(S3)SCC4=CN5C=CC=CC5=C4C#N)C#N

InChI

InChI=1S/C22H14N6S3/c23-9-17-15(11-27-7-3-1-5-19(17)27)13-29-21-25-26-22(31-21)30-14-16-12-28-8-4-2-6-20(28)18(16)10-24/h1-8,11-12H,13-14H2