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

Systemtic Name: 3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-nitrophenyl)methylthio]-4-methyl-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-nitro-benzyl)thio]-4-methyl-5-phenyl-1,2,4-triazole Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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