3-[5-(2-cyanoethylsulfanyl)-3-diethoxyphosphinothioyloxy-2H-1,2,3-triazol-1-yl]propanenitrile

Systemtic Name: 3-[5-(2-cyanoethylsulfanyl)-3-diethoxyphosphinothioyloxy-2H-1,2,3-triazol-1-yl]propanenitrile Openeye Name: 3-[5-(2-cyanoethylsulfanyl)-3-diethoxyphosphinothioyloxy-2H-triazol-1-yl]propanenitrile CAS Name: 3-[5-(2-cyanoethylthio)-3-diethoxyphosphinothioyloxy-2H-triazol-1-yl]propanenitrile IUPAC Name: 3-[5-(2-cyanoethylsulfanyl)-3-diethoxyphosphinothioyloxy-2H-triazol-1-yl]propanenitrile Traditional Name: 3-[5-(2-cyanoethylthio)-3-diethoxythiophosphoryloxy-2H-triazol-1-yl]propionitrile Formula: C12H20N5O3PS2 MolecularWeight: 377.422661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N5O3PS2/c1-3-18-21(22,19-4-2)20-17-11-12(23-10-6-8-14)16(15-17)9-5-7-13/h11,15H,3-6,9-10H2,1-2H3