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

Systemtic Name: 3-[2-(4-chloranylphenoxy)ethylsulfanyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(4-chlorophenoxy)ethylthio]-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[2-(4-chlorophenoxy)ethylthio]-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-5-one Formula: C15H18ClN3O3S MolecularWeight: 355.83972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)NN=C2SCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(OC1)CN2C(=O)NN=C2SCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H18ClN3O3S/c16-11-3-5-12(6-4-11)22-8-9-23-15-18-17-14(20)19(15)10-13-2-1-7-21-13/h3-6,13H,1-2,7-10H2,(H,17,20)