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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCSC2=NN=C(N2C)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCSC2=NN=C(N2C)C3=CC=CC=C3OC

InChI

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