3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-nitrophenyl)methylthio]-4-methyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[(2-chloro-6-nitro-benzyl)thio]-4-methyl-1,2,4-triazole Formula: C17H15ClN4O2S MolecularWeight: 374.8446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H15ClN4O2S/c1-21-16(10-12-6-3-2-4-7-12)19-20-17(21)25-11-13-14(18)8-5-9-15(13)22(23)24/h2-9H,10-11H2,1H3