(7R)-7-cyano-7-phenyl-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-4-thiolate

Systemtic Name: (7R)-7-cyano-7-phenyl-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-4-thiolate Openeye Name: (7R)-7-cyano-7-phenyl-6,8-dihydro-5H-benzothiopheno[2,3-d]pyrimidine-4-thiolate CAS Name: (7R)-7-cyano-7-phenyl-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-4-thiolate IUPAC Name: (7R)-7-cyano-7-phenyl-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-4-thiolate Traditional Name: (7R)-7-cyano-7-phenyl-6,8-dihydro-5H-benzothiopheno[2,3-d]pyrimidine-4-thiolate Formula: C17H12N3S2- MolecularWeight: 322.42728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2=C1C3=C(N=CN=C3S2)[S-])(C#N)C4=CC=CC=C4

Isomeric SMILES

C1C[C@](CC2=C1C3=C(N=CN=C3S2)[S-])(C#N)C4=CC=CC=C4

InChI

InChI=1S/C17H13N3S2/c18-9-17(11-4-2-1-3-5-11)7-6-12-13(8-17)22-16-14(12)15(21)19-10-20-16/h1-5,10H,6-8H2,(H,19,20,21)/p-1/t17-/m0/s1