2-phenyl-3-prop-2-ynyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-phenyl-3-prop-2-ynyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-phenyl-3-prop-2-ynyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-phenyl-3-prop-2-ynyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-phenyl-3-prop-2-ynyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-phenyl-3-propargyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C19H16N2OS MolecularWeight: 320.40814

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=NC2=C(C1=O)C3=C(S2)CCCC3)C4=CC=CC=C4

Isomeric SMILES

C#CCN1C(=NC2=C(C1=O)C3=C(S2)CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C19H16N2OS/c1-2-12-21-17(13-8-4-3-5-9-13)20-18-16(19(21)22)14-10-6-7-11-15(14)23-18/h1,3-5,8-9H,6-7,10-12H2