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

Systemtic Name: 5-[(4-chloranyl-3-methyl-phenoxy)methyl]-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-chloro-3-methyl-phenoxy)methyl]-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-[(4-chloro-3-methylphenoxy)methyl]-3-(3-phenoxypropylthio)-1H-1,2,4-triazole IUPAC Name: 5-[(4-chloro-3-methylphenoxy)methyl]-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-[(4-chloro-3-methyl-phenoxy)methyl]-3-(3-phenoxypropylthio)-1H-1,2,4-triazole Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCCCOC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCCCOC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H20ClN3O2S/c1-14-12-16(8-9-17(14)20)25-13-18-21-19(23-22-18)26-11-5-10-24-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,22,23)