3-[(2,4-dimethylphenoxy)methyl]-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2,4-dimethylphenoxy)methyl]-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(2,4-dimethylphenoxy)methyl]-5-[(4-isopropylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(2,4-dimethylphenoxy)methyl]-5-[(4-propan-2-ylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2,4-dimethylphenoxy)methyl]-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(2,4-dimethylphenoxy)methyl]-5-[(4-isopropylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c1-14(2)18-8-6-17(7-9-18)13-27-21-24-23-20(25(21)22)12-26-19-10-5-15(3)11-16(19)4/h5-11,14H,12-13,22H2,1-4H3