8-nitro-3-propan-2-yl-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 8-nitro-3-propan-2-yl-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-isopropyl-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 8-nitro-3-propan-2-yl-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 8-nitro-3-propan-2-yl-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-isopropyl-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C3=C(S2)C=CC(=C3)[N+](=O)[O-])NC1=S

Isomeric SMILES

CC(C)N1C(=O)C2=C(C3=C(S2)C=CC(=C3)[N+](=O)[O-])NC1=S

InChI

InChI=1S/C13H11N3O3S2/c1-6(2)15-12(17)11-10(14-13(15)20)8-5-7(16(18)19)3-4-9(8)21-11/h3-6H,1-2H3,(H,14,20)