3-(4-ethoxyphenyl)-5-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-ethoxyphenyl)-5-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-ethoxyphenyl)-5-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-ethoxyphenyl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-ethoxyphenyl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]-5-p-phenetyl-1,2,4-triazol-4-yl]amine Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCCOC3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCCOC3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C22H28N4O2S/c1-5-27-18-8-6-17(7-9-18)21-24-25-22(26(21)23)29-13-12-28-19-10-11-20(15(2)3)16(4)14-19/h6-11,14-15H,5,12-13,23H2,1-4H3