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

Systemtic Name: S-[2-[1-cyclopentyl-3,5-bis(oxidanylidene)-1,2,4-triazolidin-4-yl]-3-phenyl-propyl] ethanethioate Openeye Name: S-[2-(1-cyclopentyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-3-phenyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-(1-cyclopentyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-3-phenylpropyl] ester IUPAC Name: S-[2-(1-cyclopentyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-3-phenylpropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(1-cyclopentyl-3,5-diketo-1,2,4-triazolidin-4-yl)-3-phenyl-propyl] ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)N2C(=O)NN(C2=O)C3CCCC3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)N2C(=O)NN(C2=O)C3CCCC3

InChI

InChI=1S/C18H23N3O3S/c1-13(22)25-12-16(11-14-7-3-2-4-8-14)20-17(23)19-21(18(20)24)15-9-5-6-10-15/h2-4,7-8,15-16H,5-6,9-12H2,1H3,(H,19,23)