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

Systemtic Name: 3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazole Openeye Name: 4-isobutyl-3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-methylphenyl)methylthio]-5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazole IUPAC Name: 3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazole Traditional Name: 4-isobutyl-3-[(2-methoxy-5-methyl-benzyl)thio]-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O2S/c1-15(2)13-25-21(17-7-9-19(26-4)10-8-17)23-24-22(25)28-14-18-12-16(3)6-11-20(18)27-5/h6-12,15H,13-14H2,1-5H3