(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid (1-propyltetrazol-5-yl)methyl ester Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C17H19N5O2S/c1-3-8-22-15(19-20-21-22)10-24-17(23)11-25-16-9-12(2)13-6-4-5-7-14(13)18-16/h4-7,9H,3,8,10-11H2,1-2H3