1-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C11H11N5O MolecularWeight: 229.23794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CN2C=NC(=N2)C#N

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CN2C=NC(=N2)C#N

InChI

InChI=1S/C11H11N5O/c1-7-3-9(8(2)14-7)10(17)5-16-6-13-11(4-12)15-16/h3,6,14H,5H2,1-2H3