2-(2-phenoxyethylsulfanyl)quinazoline-4-thiolate

Systemtic Name: 2-(2-phenoxyethylsulfanyl)quinazoline-4-thiolate Openeye Name: 2-(2-phenoxyethylsulfanyl)quinazoline-4-thiolate CAS Name: 2-(2-phenoxyethylthio)-4-quinazolinethiolate IUPAC Name: 2-(2-phenoxyethylsulfanyl)quinazoline-4-thiolate Traditional Name: 2-(2-phenoxyethylthio)quinazoline-4-thiolate Formula: C16H13N2OS2- MolecularWeight: 313.41722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=N2)[S-]

Isomeric SMILES

C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=N2)[S-]

InChI

InChI=1S/C16H14N2OS2/c20-15-13-8-4-5-9-14(13)17-16(18-15)21-11-10-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18,20)/p-1