5-[(3-butyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[(3-butyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(3-butyl-5-oxo-1H-1,2,4-triazol-4-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(3-butyl-5-oxo-1H-1,2,4-triazol-4-yl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(3-butyl-5-oxo-1H-1,2,4-triazol-4-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(3-butyl-5-keto-1H-1,2,4-triazol-4-yl)methyl]-2-phenyl-benzonitrile Formula: C20H20N4O MolecularWeight: 332.399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=O)N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1=NNC(=O)N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H20N4O/c1-2-3-9-19-22-23-20(25)24(19)14-15-10-11-18(17(12-15)13-21)16-7-5-4-6-8-16/h4-8,10-12H,2-3,9,14H2,1H3,(H,23,25)