3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[3-(3,5-dimethylphenoxy)propylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[3-(3,5-dimethylphenoxy)propylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSC2=NN=C(N2C)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSC2=NN=C(N2C)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H25N3O2S/c1-15-12-16(2)14-19(13-15)26-10-5-11-27-21-23-22-20(24(21)3)17-6-8-18(25-4)9-7-17/h6-9,12-14H,5,10-11H2,1-4H3