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

Systemtic Name: 1-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C18H17N5O MolecularWeight: 319.36048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=NC(=N3)C#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=NC(=N3)C#N

InChI

InChI=1S/C18H17N5O/c1-13-8-16(17(24)11-22-12-20-18(9-19)21-22)14(2)23(13)10-15-6-4-3-5-7-15/h3-8,12H,10-11H2,1-2H3