3-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-[(4-chloro-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-[(4-chloro-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C23H20ClN3OS MolecularWeight: 421.9424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H20ClN3OS/c1-17-14-20(12-13-21(17)24)28-15-22-25-26-23(27(22)19-10-6-3-7-11-19)29-16-18-8-4-2-5-9-18/h2-14H,15-16H2,1H3