(E)-3-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethylamino]-3-methoxy-prop-2-enenitrile

Systemtic Name: (E)-3-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethylamino]-3-methoxy-prop-2-enenitrile Openeye Name: (E)-3-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethylamino]-3-methoxy-prop-2-enenitrile CAS Name: (E)-3-[2-[(3-chloro-2-pyridinyl)methylthio]ethylamino]-3-methoxy-2-propenenitrile IUPAC Name: (E)-3-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethylamino]-3-methoxyprop-2-enenitrile Traditional Name: (E)-3-[2-[(3-chloro-2-pyridyl)methylthio]ethylamino]-3-methoxy-acrylonitrile Formula: C12H14ClN3OS MolecularWeight: 283.77706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=CC#N)NCCSCC1=C(C=CC=N1)Cl

Isomeric SMILES

CO/C(=C/C#N)/NCCSCC1=C(C=CC=N1)Cl

InChI

InChI=1S/C12H14ClN3OS/c1-17-12(4-5-14)16-7-8-18-9-11-10(13)3-2-6-15-11/h2-4,6,16H,7-9H2,1H3/b12-4+