(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N,N-diethylcarbamodithioate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N,N-diethylcarbamodithioate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic 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 N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C18H19N3OS3 MolecularWeight: 389.55796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CCN(CC)C(=S)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C18H19N3OS3/c1-3-21(4-2)18(23)25-11-14-19-16(22)15-13(10-24-17(15)20-14)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,19,20,22)