3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(3-pyridylmethyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-(3-pyridinylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(3-pyridylmethyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C16H11N3OS2 MolecularWeight: 325.40804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C(=O)N(C(=S)N3)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C(=O)N(C(=S)N3)CC4=CN=CC=C4

InChI

InChI=1S/C16H11N3OS2/c20-15-14-13(11-5-1-2-6-12(11)22-14)18-16(21)19(15)9-10-4-3-7-17-8-10/h1-8H,9H2,(H,18,21)