5-[(E)-3-chloranylprop-2-enyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate

Systemtic Name: 5-[(E)-3-chloranylprop-2-enyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate Openeye Name: 5-[(E)-3-chloroallyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate CAS Name: 5-[[(E)-3-chloroprop-2-enyl]thio]-4-phenethyl-1,2,4-triazol-3-olate IUPAC Name: 5-[(E)-3-chloroprop-2-enyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate Traditional Name: 5-[[(E)-3-chloroallyl]thio]-4-phenethyl-1,2,4-triazol-3-olate Formula: C13H13ClN3OS- MolecularWeight: 294.77982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC=CCl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SC/C=C/Cl)[O-]

InChI

InChI=1S/C13H14ClN3OS/c14-8-4-10-19-13-16-15-12(18)17(13)9-7-11-5-2-1-3-6-11/h1-6,8H,7,9-10H2,(H,15,18)/p-1/b8-4+