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

Systemtic Name: 3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-nitrophenyl)methylthio]-4,5-diphenyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-nitro-benzyl)thio]-4,5-diphenyl-1,2,4-triazole Formula: C21H15ClN4O2S MolecularWeight: 422.8874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN4O2S/c22-18-12-7-13-19(26(27)28)17(18)14-29-21-24-23-20(15-8-3-1-4-9-15)25(21)16-10-5-2-6-11-16/h1-13H,14H2