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

Systemtic Name: 3-[(E)-3-chloranylprop-2-enyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(E)-3-chloroallyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(E)-3-chloroprop-2-enyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(E)-3-chloroprop-2-enyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(E)-3-chloroallyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C13H14ClN3OS MolecularWeight: 295.78776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC=CCl

Isomeric SMILES

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

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)/b8-4+