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

Systemtic Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-5-(3-isopropoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3,4-dimethylphenyl)methylthio]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3,4-dimethylbenzyl)thio]-5-(3-isopropoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C20H24N4OS MolecularWeight: 368.49576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=NN=C(N2N)C3=CC(=CC=C3)OC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=NN=C(N2N)C3=CC(=CC=C3)OC(C)C)C

InChI

InChI=1S/C20H24N4OS/c1-13(2)25-18-7-5-6-17(11-18)19-22-23-20(24(19)21)26-12-16-9-8-14(3)15(4)10-16/h5-11,13H,12,21H2,1-4H3