3-[2-(2-chloranylphenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(2-chloranylphenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(2-chlorophenoxy)ethylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[2-(2-chlorophenoxy)ethylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C18H18ClN3O2S MolecularWeight: 375.87242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCOC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCOC3=CC=CC=C3Cl

InChI

InChI=1S/C18H18ClN3O2S/c19-15-8-4-5-9-16(15)24-12-13-25-18-21-20-17(23)22(18)11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,23)