2-(1,2,4-triazol-1-yl)benzenecarbonitrile

Systemtic Name: 2-(1,2,4-triazol-1-yl)benzenecarbonitrile Openeye Name: 2-(1,2,4-triazol-1-yl)benzonitrile CAS Name: 2-(1,2,4-triazol-1-yl)benzonitrile IUPAC Name: 2-(1,2,4-triazol-1-yl)benzonitrile Traditional Name: 2-(1,2,4-triazol-1-yl)benzonitrile Formula: C9H6N4 MolecularWeight: 170.17074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)N2C=NC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C#N)N2C=NC=N2

InChI

InChI=1S/C9H6N4/c10-5-8-3-1-2-4-9(8)13-7-11-6-12-13/h1-4,6-7H