(E)-2-(4-chlorophenyl)sulfonyl-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)sulfonyl-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enenitrile Openeye Name: (E)-2-(4-chlorophenyl)sulfonyl-3-methylsulfanyl-3-(3-pyridylmethylamino)prop-2-enenitrile CAS Name: (E)-2-(4-chlorophenyl)sulfonyl-3-(methylthio)-3-(3-pyridinylmethylamino)-2-propenenitrile IUPAC Name: (E)-2-(4-chlorophenyl)sulfonyl-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enenitrile Traditional Name: (E)-2-(4-chlorophenyl)sulfonyl-3-(methylthio)-3-(3-pyridylmethylamino)acrylonitrile Formula: C16H14ClN3O2S2 MolecularWeight: 379.88426

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)S(=O)(=O)C1=CC=C(C=C1)Cl)NCC2=CN=CC=C2

Isomeric SMILES

CS/C(=C(\C#N)/S(=O)(=O)C1=CC=C(C=C1)Cl)/NCC2=CN=CC=C2

InChI

InChI=1S/C16H14ClN3O2S2/c1-23-16(20-11-12-3-2-8-19-10-12)15(9-18)24(21,22)14-6-4-13(17)5-7-14/h2-8,10,20H,11H2,1H3/b16-15+