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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-2-methylsulfanyl-N-(phenylmethyl)pyrimidine-4-carboxamide Openeye Name: N-benzyl-5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(methylthio)-N-(phenylmethyl)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-benzyl-5-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H18ClN3O3S2 MolecularWeight: 411.92612

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N(CC2=CC=CC=C2)[C@H]3CCS(=O)(=O)C3)Cl

InChI

InChI=1S/C17H18ClN3O3S2/c1-25-17-19-9-14(18)15(20-17)16(22)21(10-12-5-3-2-4-6-12)13-7-8-26(23,24)11-13/h2-6,9,13H,7-8,10-11H2,1H3/t13-/m0/s1