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

Systemtic Name: [5-(4-bromophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl pyrrolidine-1-carbodithioate Openeye Name: [5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [5-(4-bromophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C18H16BrN3OS3 MolecularWeight: 466.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3OS3/c19-12-5-3-11(4-6-12)13-9-25-17-15(13)16(23)20-14(21-17)10-26-18(24)22-7-1-2-8-22/h3-6,9H,1-2,7-8,10H2,(H,20,21,23)