5-(4-chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole Openeye Name: 5-(4-chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole CAS Name: 5-[(4-chlorophenyl)thio]-1-methyl-3-nitro-1,2,4-triazole IUPAC Name: 5-(4-chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole Traditional Name: 5-[(4-chlorophenyl)thio]-1-methyl-3-nitro-1,2,4-triazole Formula: C9H7ClN4O2S MolecularWeight: 270.69548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C9H7ClN4O2S/c1-13-9(11-8(12-13)14(15)16)17-7-4-2-6(10)3-5-7/h2-5H,1H3