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

Systemtic Name: 2-(4-nitrophenyl)-2,3-dihydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-(4-nitrophenyl)-2,3-dihydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(4-nitrophenyl)-2,3-dihydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-(4-nitrophenyl)-2,3-dihydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(4-nitrophenyl)-2,3-dihydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)NC(NC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)NC(NC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O3S/c20-15-13-11-3-1-2-4-12(11)23-16(13)18-14(17-15)9-5-7-10(8-6-9)19(21)22/h1-8,14,18H,(H,17,20)