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

Systemtic Name: 1-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C16H21N5O MolecularWeight: 299.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C=NC(=N2)C#N

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C=NC(=N2)C#N

InChI

InChI=1S/C16H21N5O/c1-11(2)5-6-21-12(3)7-14(13(21)4)15(22)9-20-10-18-16(8-17)19-20/h7,10-11H,5-6,9H2,1-4H3