6-azanyl-5-[2-[(4-chlorophenyl)methylsulfonyl]-1-phenyl-ethyl]-2-sulfanylidene-5H-pyrimidin-4-one

Systemtic Name: 6-azanyl-5-[2-[(4-chlorophenyl)methylsulfonyl]-1-phenyl-ethyl]-2-sulfanylidene-5H-pyrimidin-4-one Openeye Name: 6-amino-5-[2-[(4-chlorophenyl)methylsulfonyl]-1-phenyl-ethyl]-2-thioxo-5H-pyrimidin-4-one CAS Name: 6-amino-5-[2-[(4-chlorophenyl)methylsulfonyl]-1-phenylethyl]-2-sulfanylidene-5H-pyrimidin-4-one IUPAC Name: 6-amino-5-[2-[(4-chlorophenyl)methylsulfonyl]-1-phenylethyl]-2-sulfanylidene-5H-pyrimidin-4-one Traditional Name: 6-amino-5-[2-(4-chlorobenzyl)sulfonyl-1-phenyl-ethyl]-2-thioxo-5H-pyrimidin-4-one Formula: C19H18ClN3O3S2 MolecularWeight: 435.94752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CS(=O)(=O)CC2=CC=C(C=C2)Cl)C3C(=NC(=S)NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(CS(=O)(=O)CC2=CC=C(C=C2)Cl)C3C(=NC(=S)NC3=O)N

InChI

InChI=1S/C19H18ClN3O3S2/c20-14-8-6-12(7-9-14)10-28(25,26)11-15(13-4-2-1-3-5-13)16-17(21)22-19(27)23-18(16)24/h1-9,15-16H,10-11H2,(H3,21,22,23,24,27)