3-[3-(4-chloranylphenoxy)propylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[3-(4-chloranylphenoxy)propylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[3-(4-chlorophenoxy)propylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[3-(4-chlorophenoxy)propylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[3-(4-chlorophenoxy)propylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[3-(4-chlorophenoxy)propylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H16ClN3O2S/c15-10-2-6-12(7-3-10)20-8-1-9-21-14-17-16-13(19)18(14)11-4-5-11/h2-3,6-7,11H,1,4-5,8-9H2,(H,16,19)