3-(1,3-benzodioxol-5-ylmethyl)-4-methylidene-quinazoline-2-thiolate

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-methylidene-quinazoline-2-thiolate Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-methylene-quinazoline-2-thiolate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-methylene-2-quinazolinethiolate IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-methylidenequinazoline-2-thiolate Traditional Name: 4-methylene-3-piperonyl-quinazoline-2-thiolate Formula: C17H13N2O2S- MolecularWeight: 309.36232

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2N=C(N1CC3=CC4=C(C=C3)OCO4)[S-]

Isomeric SMILES

C=C1C2=CC=CC=C2N=C(N1CC3=CC4=C(C=C3)OCO4)[S-]

InChI

InChI=1S/C17H14N2O2S/c1-11-13-4-2-3-5-14(13)18-17(22)19(11)9-12-6-7-15-16(8-12)21-10-20-15/h2-8H,1,9-10H2,(H,18,22)/p-1