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

Systemtic Name: 4-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]benzenecarbonitrile Openeye Name: 4-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]benzonitrile CAS Name: 4-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]benzonitrile IUPAC Name: 4-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]benzonitrile Traditional Name: 4-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]benzonitrile Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)(CN2C=NC=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1COC(O1)(CN2C=NC=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C13H12N4O2/c14-7-11-1-3-12(4-2-11)13(18-5-6-19-13)8-17-10-15-9-16-17/h1-4,9-10H,5-6,8H2