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

Systemtic Name: 3-[2-(4-chloranyl-3-methyl-phenoxy)ethylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-chloro-3-methyl-phenoxy)ethylsulfanyl]-5-(2-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(4-chloro-3-methylphenoxy)ethylthio]-5-(2-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-chloro-3-methylphenoxy)ethylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-chloro-3-methyl-phenoxy)ethylthio]-5-(2-furyl)-4-phenyl-1,2,4-triazole Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)Cl

InChI

InChI=1S/C21H18ClN3O2S/c1-15-14-17(9-10-18(15)22)26-12-13-28-21-24-23-20(19-8-5-11-27-19)25(21)16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3