4-[[5-(cyanomethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[5-(cyanomethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzenecarbonitrile Openeye Name: 4-[[5-(cyanomethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile CAS Name: 4-[[5-(cyanomethylthio)-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile IUPAC Name: 4-[[5-(cyanomethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile Traditional Name: 4-[[5-(cyanomethylthio)-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile Formula: C18H13N5OS MolecularWeight: 347.39372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC#N)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC#N)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13N5OS/c19-10-11-25-18-22-21-17(23(18)15-4-2-1-3-5-15)13-24-16-8-6-14(12-20)7-9-16/h1-9H,11,13H2