propyl 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: propyl 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: propyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid propyl ester IUPAC Name: propyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid propyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2

InChI

InChI=1S/C13H16N4O2S/c1-2-8-19-11(18)9-20-13-16-15-12(17(13)14)10-6-4-3-5-7-10/h3-7H,2,8-9,14H2,1H3