3-(2-chloranylprop-2-enylsulfanyl)-5-(4-ethylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-(2-chloranylprop-2-enylsulfanyl)-5-(4-ethylphenyl)-1H-1,2,4-triazole Openeye Name: 3-(2-chloroallylsulfanyl)-5-(4-ethylphenyl)-1H-1,2,4-triazole CAS Name: 3-(2-chloroprop-2-enylthio)-5-(4-ethylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-(2-chloroprop-2-enylsulfanyl)-5-(4-ethylphenyl)-1H-1,2,4-triazole Traditional Name: 3-(2-chloroallylthio)-5-(4-ethylphenyl)-1H-1,2,4-triazole Formula: C13H14ClN3S MolecularWeight: 279.78836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=C)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=C)Cl

InChI

InChI=1S/C13H14ClN3S/c1-3-10-4-6-11(7-5-10)12-15-13(17-16-12)18-8-9(2)14/h4-7H,2-3,8H2,1H3,(H,15,16,17)