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

Systemtic Name: 3-[(4-chloranyl-3-methyl-phenoxy)methyl]-5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-chloro-3-methyl-phenoxy)methyl]-5-isobutylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-chloro-3-methylphenoxy)methyl]-5-(2-methylpropylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-chloro-3-methylphenoxy)methyl]-5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-chloro-3-methyl-phenoxy)methyl]-5-(isobutylthio)-4-phenyl-1,2,4-triazole Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3OS/c1-14(2)13-26-20-23-22-19(24(20)16-7-5-4-6-8-16)12-25-17-9-10-18(21)15(3)11-17/h4-11,14H,12-13H2,1-3H3