3-[3-(4-ethylphenoxy)propylsulfanyl]-5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[3-(4-ethylphenoxy)propylsulfanyl]-5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[3-(4-ethylphenoxy)propylsulfanyl]-4-phenyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazole CAS Name: 3-[3-(4-ethylphenoxy)propylthio]-5-[[(4-methylphenyl)thio]methyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[3-(4-ethylphenoxy)propylsulfanyl]-5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[3-(4-ethylphenoxy)propylthio]-4-phenyl-5-[(p-tolylthio)methyl]-1,2,4-triazole Formula: C27H29N3OS2 MolecularWeight: 475.66866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCSC2=NN=C(N2C3=CC=CC=C3)CSC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCSC2=NN=C(N2C3=CC=CC=C3)CSC4=CC=C(C=C4)C

InChI

InChI=1S/C27H29N3OS2/c1-3-22-12-14-24(15-13-22)31-18-7-19-32-27-29-28-26(30(27)23-8-5-4-6-9-23)20-33-25-16-10-21(2)11-17-25/h4-6,8-17H,3,7,18-20H2,1-2H3