3-[(5-diethoxyphosphinothioyloxy-2-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile

Systemtic Name: 3-[(5-diethoxyphosphinothioyloxy-2-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 3-[(5-diethoxyphosphinothioyloxy-2-isopropyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 3-[(5-diethoxyphosphinothioyloxy-2-propan-2-yl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 3-[(5-diethoxyphosphinothioyloxy-2-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[(5-diethoxythiophosphoryloxy-2-isopropyl-1,2,4-triazol-3-yl)thio]propionitrile Formula: C12H21N4O3PS2 MolecularWeight: 364.423901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OC1=NN(C(=N1)SCCC#N)C(C)C

Isomeric SMILES

CCOP(=S)(OCC)OC1=NN(C(=N1)SCCC#N)C(C)C

InChI

InChI=1S/C12H21N4O3PS2/c1-5-17-20(21,18-6-2)19-11-14-12(22-9-7-8-13)16(15-11)10(3)4/h10H,5-7,9H2,1-4H3