1-[4-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]ethanone Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC=NN2

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC=NN2

InChI

InChI=1S/C13H15N3O2S/c1-3-18-12-5-4-10(9(2)17)6-11(12)7-19-13-14-8-15-16-13/h4-6,8H,3,7H2,1-2H3,(H,14,15,16)