N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-[(3S)-1,1-diketothiolan-3-yl]pyrimidine-4-carboxamide Formula: C16H16ClN3O3S2 MolecularWeight: 397.89954

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C16H16ClN3O3S2/c17-13-8-18-16(24-9-11-4-2-1-3-5-11)20-14(13)15(21)19-12-6-7-25(22,23)10-12/h1-5,8,12H,6-7,9-10H2,(H,19,21)/t12-/m0/s1