3-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-methyl-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-methyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-(2-chloro-4-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]-4-methyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-(2-chloro-4-nitrophenyl)sulfanyl-4-methyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[(2-chloro-4-nitro-phenyl)thio]-4-methyl-1,2,4-triazole Formula: C16H13ClN4O2S MolecularWeight: 360.81802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

InChI

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