3-phenylpropyl 2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanoate

Systemtic Name: 3-phenylpropyl 2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanoate Openeye Name: 3-phenylpropyl 2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetate CAS Name: 2-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetate Traditional Name: 2-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)acetic acid 3-phenylpropyl ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CSC2=NN=C3N2C4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CSC2=NN=C3N2C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19N3O2S/c25-20(26-14-6-9-16-7-2-1-3-8-16)15-27-21-23-22-19-13-12-17-10-4-5-11-18(17)24(19)21/h1-5,7-8,10-13H,6,9,14-15H2