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

Systemtic Name: 3-(3-methoxypropyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(3-methoxypropyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-(3-methoxypropyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(3-methoxypropyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(3-methoxypropyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C14H14N2O2S2 MolecularWeight: 306.40316

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S

InChI

InChI=1S/C14H14N2O2S2/c1-18-8-4-7-16-13(17)12-11(15-14(16)19)9-5-2-3-6-10(9)20-12/h2-3,5-6H,4,7-8H2,1H3,(H,15,19)