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

Systemtic Name: 3-butyl-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-butyl-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-butyl-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-butyl-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-butyl-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=C(S2)C=CC(=C3)[N+](=O)[O-])NC1=S

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=C(S2)C=CC(=C3)[N+](=O)[O-])NC1=S

InChI

InChI=1S/C14H13N3O3S2/c1-2-3-6-16-13(18)12-11(15-14(16)21)9-7-8(17(19)20)4-5-10(9)22-12/h4-5,7H,2-3,6H2,1H3,(H,15,21)