4-(4-chlorophenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(4-chlorophenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-[(3-nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-[(3-nitrobenzyl)thio]-5-phenyl-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=C(C=C3)Cl)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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