1-[[6-chloranyl-5-(hydroxymethyl)pyridin-3-yl]methyl]-4-(4-cyanophenyl)-5-methyl-2-methylsulfonyl-pyrrole-3-carbonitrile

Systemtic Name: 1-[[6-chloranyl-5-(hydroxymethyl)pyridin-3-yl]methyl]-4-(4-cyanophenyl)-5-methyl-2-methylsulfonyl-pyrrole-3-carbonitrile Openeye Name: 1-[[6-chloro-5-(hydroxymethyl)-3-pyridyl]methyl]-4-(4-cyanophenyl)-5-methyl-2-methylsulfonyl-pyrrole-3-carbonitrile CAS Name: 1-[[6-chloro-5-(hydroxymethyl)-3-pyridinyl]methyl]-4-(4-cyanophenyl)-5-methyl-2-methylsulfonyl-3-pyrrolecarbonitrile IUPAC Name: 1-[[6-chloro-5-(hydroxymethyl)pyridin-3-yl]methyl]-4-(4-cyanophenyl)-5-methyl-2-methylsulfonylpyrrole-3-carbonitrile Traditional Name: 1-[(6-chloro-5-methylol-3-pyridyl)methyl]-4-(4-cyanophenyl)-2-mesyl-5-methyl-pyrrole-3-carbonitrile Formula: C21H17ClN4O3S MolecularWeight: 440.90268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC(=C(N=C2)Cl)CO)S(=O)(=O)C)C#N)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC(=C(N=C2)Cl)CO)S(=O)(=O)C)C#N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17ClN4O3S/c1-13-19(16-5-3-14(8-23)4-6-16)18(9-24)21(30(2,28)29)26(13)11-15-7-17(12-27)20(22)25-10-15/h3-7,10,27H,11-12H2,1-2H3