4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H14N4OS/c18-12-13-6-8-15(9-7-13)22-10-11-23-17-19-16(20-21-17)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,20,21)