3-(4-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-(4-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-4-amine CAS Name: 3-(4-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-(4-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-(4-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-4-yl]amine Formula: C17H18N4OS MolecularWeight: 326.41602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCCC3=CC=CC=C3

InChI

InChI=1S/C17H18N4OS/c1-22-15-9-7-14(8-10-15)16-19-20-17(21(16)18)23-12-11-13-5-3-2-4-6-13/h2-10H,11-12,18H2,1H3