3-(3-bromophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(3-bromophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(3-bromophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(3-bromophenyl)-5-[(4-methoxy-3-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(3-bromophenyl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(3-bromophenyl)-5-[(4-methoxy-3-nitro-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C22H17BrN4O3S MolecularWeight: 497.36438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H17BrN4O3S/c1-30-20-11-10-15(12-19(20)27(28)29)14-31-22-25-24-21(16-6-5-7-17(23)13-16)26(22)18-8-3-2-4-9-18/h2-13H,14H2,1H3