3-(3-chloranyl-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(3-chloranyl-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(3-chlorobenzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(3-chloro-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(3-chloro-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(3-chlorobenzothiophen-2-yl)-5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C23H15ClN4O2S2 MolecularWeight: 478.9738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C23H15ClN4O2S2/c24-20-18-8-4-5-9-19(18)32-21(20)22-25-26-23(27(22)16-6-2-1-3-7-16)31-14-15-10-12-17(13-11-15)28(29)30/h1-13H,14H2