2-(4-methylphenyl)sulfonyl-3-(pyridin-3-ylmethylamino)prop-2-enenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-(pyridin-3-ylmethylamino)prop-2-enenitrile Openeye Name: 2-(p-tolylsulfonyl)-3-(3-pyridylmethylamino)prop-2-enenitrile CAS Name: 2-(4-methylphenyl)sulfonyl-3-(3-pyridinylmethylamino)-2-propenenitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-(pyridin-3-ylmethylamino)prop-2-enenitrile Traditional Name: 3-(3-pyridylmethylamino)-2-tosyl-acrylonitrile Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CNCC2=CN=CC=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CNCC2=CN=CC=C2)C#N

InChI

InChI=1S/C16H15N3O2S/c1-13-4-6-15(7-5-13)22(20,21)16(9-17)12-19-11-14-3-2-8-18-10-14/h2-8,10,12,19H,11H2,1H3