3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Formula: C17H15ClN4O3S MolecularWeight: 390.844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O3S/c1-21-16(10-25-15-8-6-14(7-9-15)22(23)24)19-20-17(21)26-11-12-2-4-13(18)5-3-12/h2-9H,10-11H2,1H3