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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-(3-nitrophenyl)-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-methyl-5-(3-nitrophenyl)-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-(3-nitrophenyl)-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4-methyl-5-(3-nitrophenyl)-1,2,4-triazole Formula: C16H13ClN4O2S MolecularWeight: 360.81802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O2S/c1-20-15(12-3-2-4-14(9-12)21(22)23)18-19-16(20)24-10-11-5-7-13(17)8-6-11/h2-9H,10H2,1H3