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

Systemtic Name: 2-phenoxyethyl 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-phenoxyethyl 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 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O3S/c13-11-14-12(16-15-11)20-8-10(17)19-7-6-18-9-4-2-1-3-5-9/h1-5H,6-8H2,(H3,13,14,15,16)