3-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-5-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-1,2,4-triazole Formula: C15H18ClN3O2S MolecularWeight: 339.84032

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(=NN=C1SCC=C)C2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC(CN1C(=NN=C1SCC=C)C2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C15H18ClN3O2S/c1-4-9-22-15-18-17-14(11-5-7-12(16)8-6-11)19(15)10-13(20-2)21-3/h4-8,13H,1,9-10H2,2-3H3