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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-2-ethylsulfanyl-N-(phenylmethyl)pyrimidine-4-carboxamide Openeye Name: N-benzyl-5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-2-ethylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(ethylthio)-N-(phenylmethyl)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-2-ethylsulfanylpyrimidine-4-carboxamide Traditional Name: N-benzyl-5-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-2-(ethylthio)pyrimidine-4-carboxamide Formula: C18H20ClN3O3S2 MolecularWeight: 425.9527

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=CC=C2)[C@H]3CCS(=O)(=O)C3)Cl

InChI

InChI=1S/C18H20ClN3O3S2/c1-2-26-18-20-10-15(19)16(21-18)17(23)22(11-13-6-4-3-5-7-13)14-8-9-27(24,25)12-14/h3-7,10,14H,2,8-9,11-12H2,1H3/t14-/m0/s1