3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-ethoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-ethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-ethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-ethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2,5-dimethylbenzyl)thio]-5-m-phenetyl-1,2,4-triazol-4-yl]amine Formula: C19H22N4OS MolecularWeight: 354.46918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C19H22N4OS/c1-4-24-17-7-5-6-15(11-17)18-21-22-19(23(18)20)25-12-16-10-13(2)8-9-14(16)3/h5-11H,4,12,20H2,1-3H3