4-methyl-3-phenethylsulfanyl-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 4-methyl-3-phenethylsulfanyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-methyl-3-phenethylsulfanyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-methyl-3-(phenethylthio)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-methyl-3-phenethylsulfanyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-methyl-3-(phenethylthio)-5-(2-thienyl)-1,2,4-triazole Formula: C15H15N3S2 MolecularWeight: 301.4297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C15H15N3S2/c1-18-14(13-8-5-10-19-13)16-17-15(18)20-11-9-12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3