O-ethyl [(1R)-3-(benzotriazol-1-yl)-1-diethoxyphosphoryl-propyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [(1R)-3-(benzotriazol-1-yl)-1-diethoxyphosphoryl-propyl]sulfanylmethanethioate Openeye Name: O-ethyl [(1R)-3-(benzotriazol-1-yl)-1-diethoxyphosphoryl-propyl]sulfanylmethanethioate CAS Name: [[(1R)-3-(1-benzotriazolyl)-1-diethoxyphosphorylpropyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [(1R)-3-(benzotriazol-1-yl)-1-diethoxyphosphorylpropyl]sulfanylmethanethioate Traditional Name: [[(1R)-3-(benzotriazol-1-yl)-1-diethoxyphosphoryl-propyl]thio]methanethioic acid O-ethyl ester Formula: C16H24N3O4PS2 MolecularWeight: 417.483221

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCN1C2=CC=CC=C2N=N1)P(=O)(OCC)OCC

Isomeric SMILES

CCOC(=S)S[C@H](CCN1C2=CC=CC=C2N=N1)P(=O)(OCC)OCC

InChI

InChI=1S/C16H24N3O4PS2/c1-4-21-16(25)26-15(24(20,22-5-2)23-6-3)11-12-19-14-10-8-7-9-13(14)17-18-19/h7-10,15H,4-6,11-12H2,1-3H3/t15-/m1/s1