S-[2-[3,5-bis(oxidanylidene)-1-phenyl-1,2,4-triazolidin-4-yl]-3-phenyl-propyl] ethanethioate

Systemtic Name: S-[2-[3,5-bis(oxidanylidene)-1-phenyl-1,2,4-triazolidin-4-yl]-3-phenyl-propyl] ethanethioate Openeye Name: S-[2-(3,5-dioxo-1-phenyl-1,2,4-triazolidin-4-yl)-3-phenyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-(3,5-dioxo-1-phenyl-1,2,4-triazolidin-4-yl)-3-phenylpropyl] ester IUPAC Name: S-[2-(3,5-dioxo-1-phenyl-1,2,4-triazolidin-4-yl)-3-phenylpropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(3,5-diketo-1-phenyl-1,2,4-triazolidin-4-yl)-3-phenyl-propyl] ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)N2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)N2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S/c1-14(23)26-13-17(12-15-8-4-2-5-9-15)21-18(24)20-22(19(21)25)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,20,24)