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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(3-nitrophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(3-nitrophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(3-nitrophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(3-nitrophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(3-nitrophenyl)-4-phenyl-1,2,4-triazole Formula: C21H15BrN4O2S MolecularWeight: 467.3384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN4O2S/c22-17-8-4-6-15(12-17)14-29-21-24-23-20(25(21)18-9-2-1-3-10-18)16-7-5-11-19(13-16)26(27)28/h1-13H,14H2