(E)-3-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethylamino]-3-[3-(1,3-oxazol-2-ylsulfanyl)propylamino]prop-2-enenitrile

Systemtic Name: (E)-3-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethylamino]-3-[3-(1,3-oxazol-2-ylsulfanyl)propylamino]prop-2-enenitrile Openeye Name: (E)-3-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethylamino]-3-(3-oxazol-2-ylsulfanylpropylamino)prop-2-enenitrile CAS Name: (E)-3-[2-[(3-chloro-2-pyridinyl)methylthio]ethylamino]-3-[3-(2-oxazolylthio)propylamino]-2-propenenitrile IUPAC Name: (E)-3-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethylamino]-3-[3-(1,3-oxazol-2-ylsulfanyl)propylamino]prop-2-enenitrile Traditional Name: (E)-3-[2-[(3-chloro-2-pyridyl)methylthio]ethylamino]-3-[3-(oxazol-2-ylthio)propylamino]acrylonitrile Formula: C17H20ClN5OS2 MolecularWeight: 409.9566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCNC(=CC#N)NCCCSC2=NC=CO2)Cl

Isomeric SMILES

C1=CC(=C(N=C1)CSCCN/C(=C/C#N)/NCCCSC2=NC=CO2)Cl

InChI

InChI=1S/C17H20ClN5OS2/c18-14-3-1-6-20-15(14)13-25-12-9-22-16(4-5-19)21-7-2-11-26-17-23-8-10-24-17/h1,3-4,6,8,10,21-22H,2,7,9,11-13H2/b16-4+