3-(4-nitrophenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(4-nitrophenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-nitrophenyl)benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-nitrophenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-nitrophenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-nitrophenyl)benzothiopheno[2,3-d]pyrimidin-4-one Formula: C16H9N3O3S MolecularWeight: 323.32596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)N=CN(C3=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)N=CN(C3=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H9N3O3S/c20-16-14-12-3-1-2-4-13(12)23-15(14)17-9-18(16)10-5-7-11(8-6-10)19(21)22/h1-9H