4-[(4-isocyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-isocyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-isocyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile CAS Name: 4-[(4-isocyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile IUPAC Name: 4-[(4-isocyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-isocyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Formula: C17H11N5 MolecularWeight: 285.30274

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)C(C2=CC=C(C=C2)C#N)N3C=NC=N3

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)C(C2=CC=C(C=C2)C#N)N3C=NC=N3

InChI

InChI=1S/C17H11N5/c1-19-16-8-6-15(7-9-16)17(22-12-20-11-21-22)14-4-2-13(10-18)3-5-14/h2-9,11-12,17H