3-ethyl-5-[(4-propoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-ethyl-5-[(4-propoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-ethyl-5-[(4-propoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-ethyl-5-[(4-propoxyphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-ethyl-5-[(4-propoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-ethyl-5-[(4-propoxybenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C14H20N4OS MolecularWeight: 292.3998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CSC2=NN=C(N2N)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)CSC2=NN=C(N2N)CC

InChI

InChI=1S/C14H20N4OS/c1-3-9-19-12-7-5-11(6-8-12)10-20-14-17-16-13(4-2)18(14)15/h5-8H,3-4,9-10,15H2,1-2H3