4-ethyl-3-[(4-methylphenyl)methylsulfanyl]-5-phenethyl-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(4-methylphenyl)methylsulfanyl]-5-phenethyl-1,2,4-triazole Openeye Name: 4-ethyl-3-phenethyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(4-methylphenyl)methylthio]-5-phenethyl-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(4-methylphenyl)methylsulfanyl]-5-phenethyl-1,2,4-triazole Traditional Name: 4-ethyl-3-[(4-methylbenzyl)thio]-5-phenethyl-1,2,4-triazole Formula: C20H23N3S MolecularWeight: 337.48172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)CCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3S/c1-3-23-19(14-13-17-7-5-4-6-8-17)21-22-20(23)24-15-18-11-9-16(2)10-12-18/h4-12H,3,13-15H2,1-2H3