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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-chlorophenyl)methylthio]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-chlorobenzyl)thio]-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C20H23ClN4OS MolecularWeight: 402.94082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2N)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2N)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN4OS/c1-13(2)17-9-4-14(3)10-18(17)26-11-19-23-24-20(25(19)22)27-12-15-5-7-16(21)8-6-15/h4-10,13H,11-12,22H2,1-3H3