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

Systemtic Name: 3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-nitrophenyl)methylthio]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-nitro-benzyl)thio]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Formula: C21H14ClFN4O2S MolecularWeight: 440.877863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)[N+](=O)[O-])C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)[N+](=O)[O-])C4=CC(=CC=C4)F

InChI

InChI=1S/C21H14ClFN4O2S/c22-18-10-5-11-19(27(28)29)17(18)13-30-21-25-24-20(14-6-4-7-15(23)12-14)26(21)16-8-2-1-3-9-16/h1-12H,13H2