(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C18H17N3OS3 MolecularWeight: 387.54208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1CCN(C1)C(=S)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C18H17N3OS3/c22-16-15-13(12-6-2-1-3-7-12)10-24-17(15)20-14(19-16)11-25-18(23)21-8-4-5-9-21/h1-3,6-7,10H,4-5,8-9,11H2,(H,19,20,22)