ethyl 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoate

Systemtic Name: ethyl 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoate Openeye Name: ethyl 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate CAS Name: 2-phenyl-2-(1H-1,2,4-triazol-5-ylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate Traditional Name: 2-phenyl-2-(1H-1,2,4-triazol-5-ylthio)acetic acid ethyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC=NN2

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=NC=NN2

InChI

InChI=1S/C12H13N3O2S/c1-2-17-11(16)10(9-6-4-3-5-7-9)18-12-13-8-14-15-12/h3-8,10H,2H2,1H3,(H,13,14,15)