3-[4-(4-bromophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(4-bromophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(4-bromophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-bromophenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(4-bromophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(4-bromophenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C20H14BrN5O2S MolecularWeight: 468.32646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN5O2S/c21-16-5-9-17(10-6-16)25-19(15-2-1-11-22-12-15)23-24-20(25)29-13-14-3-7-18(8-4-14)26(27)28/h1-12H,13H2