2-(3-ethanoylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 2-(3-ethanoylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 2-(3-acetylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzonitrile CAS Name: 2-(3-acetylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzonitrile IUPAC Name: 2-(3-acetylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzonitrile Traditional Name: 2-(3-acetylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzonitrile Formula: C18H14N4O MolecularWeight: 302.32996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C2=C(C=CC(=C2)CN3C=NC=N3)C#N

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C2=C(C=CC(=C2)CN3C=NC=N3)C#N

InChI

InChI=1S/C18H14N4O/c1-13(23)15-3-2-4-16(8-15)18-7-14(5-6-17(18)9-19)10-22-12-20-11-21-22/h2-8,11-12H,10H2,1H3