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

Systemtic Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(2,4-dichlorophenyl)methylthio]-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2,4-dichlorobenzyl)thio]-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-5-one Formula: C14H15Cl2N3O2S MolecularWeight: 360.2588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)NN=C2SCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CC(OC1)CN2C(=O)NN=C2SCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C14H15Cl2N3O2S/c15-10-4-3-9(12(16)6-10)8-22-14-18-17-13(20)19(14)7-11-2-1-5-21-11/h3-4,6,11H,1-2,5,7-8H2,(H,17,20)