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

Systemtic Name: 3-(4-chlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-5-[(3-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-5-[(3-nitrobenzyl)thio]-4-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)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

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