4-methyl-3-[(4-methylphenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(4-methylphenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[(4-isopropylphenoxy)methyl]-4-methyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-methyl-3-[(4-methylphenyl)methylthio]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(4-methylphenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[(4-isopropylphenoxy)methyl]-4-methyl-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C)COC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C)COC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H25N3OS/c1-15(2)18-9-11-19(12-10-18)25-13-20-22-23-21(24(20)4)26-14-17-7-5-16(3)6-8-17/h5-12,15H,13-14H2,1-4H3