3-(4-tert-butylphenyl)-5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[2-(4-ethoxyphenoxy)ethylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[2-(4-ethoxyphenoxy)ethylthio]-4-methyl-1,2,4-triazole Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H29N3O2S/c1-6-27-19-11-13-20(14-12-19)28-15-16-29-22-25-24-21(26(22)5)17-7-9-18(10-8-17)23(2,3)4/h7-14H,6,15-16H2,1-5H3