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

Systemtic Name: 3-(4-bromophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-5-[(4-nitrophenyl)methylthio]-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-5-[(4-nitrobenzyl)thio]-4-phenethyl-1,2,4-triazole Formula: C23H19BrN4O2S MolecularWeight: 495.39156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H19BrN4O2S/c24-20-10-8-19(9-11-20)22-25-26-23(27(22)15-14-17-4-2-1-3-5-17)31-16-18-6-12-21(13-7-18)28(29)30/h1-13H,14-16H2