5-[(4-chloranyl-3-methyl-phenoxy)methyl]-3-prop-2-enylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-[(4-chloranyl-3-methyl-phenoxy)methyl]-3-prop-2-enylsulfanyl-1H-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazole CAS Name: 5-[(4-chloro-3-methylphenoxy)methyl]-3-(prop-2-enylthio)-1H-1,2,4-triazole IUPAC Name: 5-[(4-chloro-3-methylphenoxy)methyl]-3-prop-2-enylsulfanyl-1H-1,2,4-triazole Traditional Name: 3-(allylthio)-5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazole Formula: C13H14ClN3OS MolecularWeight: 295.78776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC=C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC=C)Cl

InChI

InChI=1S/C13H14ClN3OS/c1-3-6-19-13-15-12(16-17-13)8-18-10-4-5-11(14)9(2)7-10/h3-5,7H,1,6,8H2,2H3,(H,15,16,17)