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

Systemtic Name: 5-[(4-chloranyl-3-methyl-phenoxy)methyl]-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-chloro-3-methyl-phenoxy)methyl]-3-isobutylsulfanyl-1H-1,2,4-triazole CAS Name: 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylpropylthio)-1H-1,2,4-triazole IUPAC Name: 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-[(4-chloro-3-methyl-phenoxy)methyl]-3-(isobutylthio)-1H-1,2,4-triazole Formula: C14H18ClN3OS MolecularWeight: 311.83022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3OS/c1-9(2)8-20-14-16-13(17-18-14)7-19-11-4-5-12(15)10(3)6-11/h4-6,9H,7-8H2,1-3H3,(H,16,17,18)