3-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazole

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazole Openeye Name: 3-(4-isobutoxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(3-methoxyphenyl)methylthio]-4-methyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazole IUPAC Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazole Traditional Name: 3-(4-isobutoxyphenyl)-5-(m-anisylthio)-4-methyl-1,2,4-triazole Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25N3O2S/c1-15(2)13-26-18-10-8-17(9-11-18)20-22-23-21(24(20)3)27-14-16-6-5-7-19(12-16)25-4/h5-12,15H,13-14H2,1-4H3