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

Systemtic Name: 5-[(4-chloranyl-3-methyl-phenoxy)methyl]-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-chloro-3-methyl-phenoxy)methyl]-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-phenoxyethylthio)-1H-1,2,4-triazole IUPAC Name: 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-[(4-chloro-3-methyl-phenoxy)methyl]-3-(2-phenoxyethylthio)-1H-1,2,4-triazole Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCCOC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCCOC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H18ClN3O2S/c1-13-11-15(7-8-16(13)19)24-12-17-20-18(22-21-17)25-10-9-23-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,21,22)