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

Systemtic Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(2,5-dimethoxyphenyl)methylthio]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(2,5-dimethoxybenzyl)thio]-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-14(2)15-5-7-17(8-6-15)28-12-20-23-24-21(25(20)22)29-13-16-11-18(26-3)9-10-19(16)27-4/h5-11,14H,12-13,22H2,1-4H3