3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethoxyphenyl)methylthio]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(2,5-dimethoxybenzyl)thio]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=C(C=CC(=C2)OC)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=C(C=CC(=C2)OC)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O3S/c1-14(2)24-20(15-6-8-17(25-3)9-7-15)22-23-21(24)28-13-16-12-18(26-4)10-11-19(16)27-5/h6-12,14H,13H2,1-5H3