diethoxyphosphinothioyl N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamodithioate

Systemtic Name: diethoxyphosphinothioyl N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamodithioate Openeye Name: diethoxyphosphinothioyl N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamodithioate CAS Name: N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamodithioic acid diethoxyphosphinothioyl ester IUPAC Name: diethoxyphosphinothioyl N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamodithioate Traditional Name: N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamodithioic acid diethoxythiophosphoryl ester Formula: C13H15N4O4PS4 MolecularWeight: 450.516361

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)SC(=S)NC1=NN=C(S1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOP(=S)(OCC)SC(=S)NC1=NN=C(S1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N4O4PS4/c1-3-20-22(24,21-4-2)26-13(23)14-12-16-15-11(25-12)9-5-7-10(8-6-9)17(18)19/h5-8H,3-4H2,1-2H3,(H,14,16,23)