3-[[2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidin-5-yl]methyl]-5-sulfanylidene-pyrrolidin-2-one

Systemtic Name: 3-[[2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidin-5-yl]methyl]-5-sulfanylidene-pyrrolidin-2-one Openeye Name: 3-[[2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidin-5-yl]methyl]-5-thioxo-pyrrolidin-2-one CAS Name: 3-[[2-[(3,4-dichlorophenyl)methylthio]-5-pyrimidinyl]methyl]-5-sulfanylidene-2-pyrrolidinone IUPAC Name: 3-[[2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidin-5-yl]methyl]-5-sulfanylidenepyrrolidin-2-one Traditional Name: 3-[[2-[(3,4-dichlorobenzyl)thio]pyrimidin-5-yl]methyl]-5-thioxo-2-pyrrolidone Formula: C16H13Cl2N3OS2 MolecularWeight: 398.32992

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC1=S)CC2=CN=C(N=C2)SCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1C(C(=O)NC1=S)CC2=CN=C(N=C2)SCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H13Cl2N3OS2/c17-12-2-1-9(4-13(12)18)8-24-16-19-6-10(7-20-16)3-11-5-14(23)21-15(11)22/h1-2,4,6-7,11H,3,5,8H2,(H,21,22,23)