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

Systemtic Name: 4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile Formula: C11H11N5OS MolecularWeight: 261.30294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCCSC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=CC=C1C#N)OCCSC2=NNC(=N2)N

InChI

InChI=1S/C11H11N5OS/c12-7-8-1-3-9(4-2-8)17-5-6-18-11-14-10(13)15-16-11/h1-4H,5-6H2,(H3,13,14,15,16)