2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-4-thiolate

Systemtic Name: 2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-4-thiolate Openeye Name: 2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-4-thiolate CAS Name: 2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-4-thiolate IUPAC Name: 2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-4-thiolate Traditional Name: 2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-4-thiolate Formula: C16H13N2S2- MolecularWeight: 297.41782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CC=CC=C4)[S-]

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CC=CC=C4)[S-]

InChI

InChI=1S/C16H14N2S2/c19-15-13-11-8-4-5-9-12(11)20-16(13)18-14(17-15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,18,19)/p-1