2-[2-azanyl-4,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]sulfonylethanenitrile

Systemtic Name: 2-[2-azanyl-4,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]sulfonylethanenitrile Openeye Name: 2-[2-amino-4,5-dimethyl-1-(2-pyridylmethyl)pyrrol-3-yl]sulfonylacetonitrile CAS Name: 2-[[2-amino-4,5-dimethyl-1-(2-pyridinylmethyl)-3-pyrrolyl]sulfonyl]acetonitrile IUPAC Name: 2-[2-amino-4,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]sulfonylacetonitrile Traditional Name: 2-[2-amino-4,5-dimethyl-1-(2-pyridylmethyl)pyrrol-3-yl]sulfonylacetonitrile Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)CC#N)N)CC2=CC=CC=N2)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)CC#N)N)CC2=CC=CC=N2)C

InChI

InChI=1S/C14H16N4O2S/c1-10-11(2)18(9-12-5-3-4-7-17-12)14(16)13(10)21(19,20)8-6-15/h3-5,7H,8-9,16H2,1-2H3