(1-cyanoindolizin-2-yl)methyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C26H19N5O2S MolecularWeight: 465.52636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C26H19N5O2S/c27-15-22-20(16-30-14-8-7-13-23(22)30)17-33-24(32)18-34-26-29-28-25(19-9-3-1-4-10-19)31(26)21-11-5-2-6-12-21/h1-14,16H,17-18H2