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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C13H16N4O2S/c14-12-15-13(17-16-12)20-9-11(18)19-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H3,14,15,16,17)