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

Systemtic Name: 3-[2-(4-chloranylphenoxy)ethylsulfanyl]-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-chlorophenoxy)ethylthio]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[2-(4-chlorophenoxy)ethylthio]-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C21H25ClN4O2S MolecularWeight: 432.9668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2N)SCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2N)SCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O2S/c1-14(2)18-9-4-15(3)12-19(18)28-13-20-24-25-21(26(20)23)29-11-10-27-17-7-5-16(22)6-8-17/h4-9,12,14H,10-11,13,23H2,1-3H3