3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C13H12ClN3O2S MolecularWeight: 309.77128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2CCOC2=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SC2CCOC2=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H12ClN3O2S/c1-17-11(8-2-4-9(14)5-3-8)15-16-13(17)20-10-6-7-19-12(10)18/h2-5,10H,6-7H2,1H3