3-(2-chlorophenyl)-5-(oxan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(2-chlorophenyl)-5-(oxan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-chlorophenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-5-(2-oxanylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-chlorophenyl)-5-(oxan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-chlorophenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C17H20ClN3OS MolecularWeight: 349.8782

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2CCCCO2)C3=CC=CC=C3Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC2CCCCO2)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H20ClN3OS/c1-2-10-21-16(14-8-3-4-9-15(14)18)19-20-17(21)23-12-13-7-5-6-11-22-13/h2-4,8-9,13H,1,5-7,10-12H2