quinolin-8-ylmethyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: quinolin-8-ylmethyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 8-quinolylmethyl 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 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 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 8-quinolylmethyl ester Formula: C26H20N4O2S MolecularWeight: 452.5276

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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=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OCC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C26H20N4O2S/c31-23(32-17-21-12-7-11-19-13-8-16-27-24(19)21)18-33-26-29-28-25(20-9-3-1-4-10-20)30(26)22-14-5-2-6-15-22/h1-16H,17-18H2