4-(3,4-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(3,4-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethylthio]-5-phenyl-1,2,4-triazole Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NN=C(N2C3=CC(=C(C=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NN=C(N2C3=CC(=C(C=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-4-30-23-12-14-24(15-13-23)31-16-17-32-26-28-27-25(21-8-6-5-7-9-21)29(26)22-11-10-19(2)20(3)18-22/h5-15,18H,4,16-17H2,1-3H3