5-[[3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[[3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[[3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]-2-phenyl-benzonitrile CAS Name: 5-[[3-[(4-nitrophenyl)methylthio]-1H-1,2,4-triazol-5-yl]methyl]-2-phenylbenzonitrile IUPAC Name: 5-[[3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]-2-phenylbenzonitrile Traditional Name: 5-[[3-[(4-nitrobenzyl)thio]-1H-1,2,4-triazol-5-yl]methyl]-2-phenyl-benzonitrile Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)CC3=NC(=NN3)SCC4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)CC3=NC(=NN3)SCC4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H17N5O2S/c24-14-19-12-17(8-11-21(19)18-4-2-1-3-5-18)13-22-25-23(27-26-22)31-15-16-6-9-20(10-7-16)28(29)30/h1-12H,13,15H2,(H,25,26,27)