2-[(4-cyanophenyl)methylsulfanyl]quinazoline-4-thiolate

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]quinazoline-4-thiolate Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]quinazoline-4-thiolate CAS Name: 2-[(4-cyanophenyl)methylthio]-4-quinazolinethiolate IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]quinazoline-4-thiolate Traditional Name: 2-[(4-cyanobenzyl)thio]quinazoline-4-thiolate Formula: C16H10N3S2- MolecularWeight: 308.4007

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC=C(C=C3)C#N)[S-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC=C(C=C3)C#N)[S-]

InChI

InChI=1S/C16H11N3S2/c17-9-11-5-7-12(8-6-11)10-21-16-18-14-4-2-1-3-13(14)15(20)19-16/h1-8H,10H2,(H,18,19,20)/p-1