2-[3-(1,2,4-triazol-1-yl)propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-(1,2,4-triazol-1-yl)propoxy]benzenecarbonitrile Openeye Name: 2-[3-(1,2,4-triazol-1-yl)propoxy]benzonitrile CAS Name: 2-[3-(1,2,4-triazol-1-yl)propoxy]benzonitrile IUPAC Name: 2-[3-(1,2,4-triazol-1-yl)propoxy]benzonitrile Traditional Name: 2-[3-(1,2,4-triazol-1-yl)propoxy]benzonitrile Formula: C12H12N4O MolecularWeight: 228.24988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCCCN2C=NC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCCCN2C=NC=N2

InChI

InChI=1S/C12H12N4O/c13-8-11-4-1-2-5-12(11)17-7-3-6-16-10-14-9-15-16/h1-2,4-5,9-10H,3,6-7H2