4-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazole

Systemtic Name: 4-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)methylthio]-5-(2-furanyl)-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-[(2,5-dimethylbenzyl)thio]-5-(2-furyl)-1,2,4-triazole Formula: C21H18ClN3OS MolecularWeight: 395.90512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C21H18ClN3OS/c1-14-5-6-15(2)16(12-14)13-27-21-24-23-20(19-4-3-11-26-19)25(21)18-9-7-17(22)8-10-18/h3-12H,13H2,1-2H3