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

Systemtic Name: 3-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-benzylsulfanyl-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-5-(phenylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-benzylsulfanyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-(benzylthio)-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4OS/c1-14(2)17-10-9-15(3)11-18(17)25-12-19-22-23-20(24(19)21)26-13-16-7-5-4-6-8-16/h4-11,14H,12-13,21H2,1-3H3