5-diethoxyphosphinothioyloxy-2-methylsulfanyl-3-prop-2-enyl-imidazole-4-carbonitrile

Systemtic Name: 5-diethoxyphosphinothioyloxy-2-methylsulfanyl-3-prop-2-enyl-imidazole-4-carbonitrile Openeye Name: 3-allyl-5-diethoxyphosphinothioyloxy-2-methylsulfanyl-imidazole-4-carbonitrile CAS Name: 5-diethoxyphosphinothioyloxy-2-(methylthio)-3-prop-2-enyl-4-imidazolecarbonitrile IUPAC Name: 5-diethoxyphosphinothioyloxy-2-methylsulfanyl-3-prop-2-enylimidazole-4-carbonitrile Traditional Name: 3-allyl-5-diethoxythiophosphoryloxy-2-(methylthio)imidazole-4-carbonitrile Formula: C12H18N3O3PS2 MolecularWeight: 347.393381

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OC1=C(N(C(=N1)SC)CC=C)C#N

Isomeric SMILES

CCOP(=S)(OCC)OC1=C(N(C(=N1)SC)CC=C)C#N

InChI

InChI=1S/C12H18N3O3PS2/c1-5-8-15-10(9-13)11(14-12(15)21-4)18-19(20,16-6-2)17-7-3/h5H,1,6-8H2,2-4H3