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

Systemtic Name: 3-(3-methoxypropyl)-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(3-methoxypropyl)-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-(3-methoxypropyl)-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(3-methoxypropyl)-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(3-methoxypropyl)-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C14H13N3O4S2 MolecularWeight: 351.40072

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C3=C(S2)C=CC(=C3)[N+](=O)[O-])NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C3=C(S2)C=CC(=C3)[N+](=O)[O-])NC1=S

InChI

InChI=1S/C14H13N3O4S2/c1-21-6-2-5-16-13(18)12-11(15-14(16)22)9-7-8(17(19)20)3-4-10(9)23-12/h3-4,7H,2,5-6H2,1H3,(H,15,22)