3-(furan-2-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-(furan-2-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-(2-furyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-(2-furanyl)-5-[(4-methoxyphenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-(2-furyl)-5-(p-anisylthio)-4-(p-tolyl)-1,2,4-triazole Formula: C21H19N3O2S MolecularWeight: 377.45946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)OC)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)OC)C4=CC=CO4

InChI

InChI=1S/C21H19N3O2S/c1-15-5-9-17(10-6-15)24-20(19-4-3-13-26-19)22-23-21(24)27-14-16-7-11-18(25-2)12-8-16/h3-13H,14H2,1-2H3