3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-piperonyl-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C18H12N2O3S2 MolecularWeight: 368.42948

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C5=CC=CC=C5S4)NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C5=CC=CC=C5S4)NC3=S

InChI

InChI=1S/C18H12N2O3S2/c21-17-16-15(11-3-1-2-4-14(11)25-16)19-18(24)20(17)8-10-5-6-12-13(7-10)23-9-22-12/h1-7H,8-9H2,(H,19,24)