3-(3-diethoxyphosphinothioyloxy-5-prop-2-enylsulfanyl-2H-1,2,3-triazol-1-yl)propanenitrile

Systemtic Name: 3-(3-diethoxyphosphinothioyloxy-5-prop-2-enylsulfanyl-2H-1,2,3-triazol-1-yl)propanenitrile Openeye Name: 3-(5-allylsulfanyl-3-diethoxyphosphinothioyloxy-2H-triazol-1-yl)propanenitrile CAS Name: 3-[3-diethoxyphosphinothioyloxy-5-(prop-2-enylthio)-2H-triazol-1-yl]propanenitrile IUPAC Name: 3-(3-diethoxyphosphinothioyloxy-5-prop-2-enylsulfanyl-2H-triazol-1-yl)propanenitrile Traditional Name: 3-[5-(allylthio)-3-diethoxythiophosphoryloxy-2H-triazol-1-yl]propionitrile Formula: C12H21N4O3PS2 MolecularWeight: 364.423901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)ON1C=C(N(N1)CCC#N)SCC=C

Isomeric SMILES

CCOP(=S)(OCC)ON1C=C(N(N1)CCC#N)SCC=C

InChI

InChI=1S/C12H21N4O3PS2/c1-4-10-22-12-11-16(14-15(12)9-7-8-13)19-20(21,17-5-2)18-6-3/h4,11,14H,1,5-7,9-10H2,2-3H3