(Z)-3-(methylamino)-3-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethylamino]prop-2-enenitrile

Systemtic Name: (Z)-3-(methylamino)-3-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethylamino]prop-2-enenitrile Openeye Name: (Z)-3-[2-(isoxazol-3-ylmethylsulfanyl)ethylamino]-3-(methylamino)prop-2-enenitrile CAS Name: (Z)-3-[2-(3-isoxazolylmethylthio)ethylamino]-3-(methylamino)-2-propenenitrile IUPAC Name: (Z)-3-(methylamino)-3-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethylamino]prop-2-enenitrile Traditional Name: (Z)-3-[2-(isoxazol-3-ylmethylthio)ethylamino]-3-(methylamino)acrylonitrile Formula: C10H14N4OS MolecularWeight: 238.30936

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=CC#N)NCCSCC1=NOC=C1

Isomeric SMILES

CN/C(=C/C#N)/NCCSCC1=NOC=C1

InChI

InChI=1S/C10H14N4OS/c1-12-10(2-4-11)13-5-7-16-8-9-3-6-15-14-9/h2-3,6,12-13H,5,7-8H2,1H3/b10-2-