2-(5-oxidanylidene-4-phenyl-1,2,4-triazol-1-yl)ethanenitrile

Systemtic Name: 2-(5-oxidanylidene-4-phenyl-1,2,4-triazol-1-yl)ethanenitrile Openeye Name: 2-(5-oxo-4-phenyl-1,2,4-triazol-1-yl)acetonitrile CAS Name: 2-(5-oxo-4-phenyl-1,2,4-triazol-1-yl)acetonitrile IUPAC Name: 2-(5-oxo-4-phenyl-1,2,4-triazol-1-yl)acetonitrile Traditional Name: 2-(5-keto-4-phenyl-1,2,4-triazol-1-yl)acetonitrile Formula: C10H8N4O MolecularWeight: 200.19672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN(C2=O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN(C2=O)CC#N

InChI

InChI=1S/C10H8N4O/c11-6-7-14-10(15)13(8-12-14)9-4-2-1-3-5-9/h1-5,8H,7H2