3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-olate

Systemtic Name: 3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-olate Openeye Name: 3-allyl-2-thioxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-olate CAS Name: 3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-olate IUPAC Name: 3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-olate Traditional Name: 3-allyl-2-thioxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-olate Formula: C13H13N2OS2- MolecularWeight: 277.38512

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C3=C(CCCC3)SC2=NC1=S)[O-]

Isomeric SMILES

C=CCN1C(=C2C3=C(CCCC3)SC2=NC1=S)[O-]

InChI

InChI=1S/C13H14N2OS2/c1-2-7-15-12(16)10-8-5-3-4-6-9(8)18-11(10)14-13(15)17/h2,16H,1,3-7H2/p-1