2-[(2S)-2-chloranyl-3-(4-methylphenyl)sulfanyl-propyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[(2S)-2-chloranyl-3-(4-methylphenyl)sulfanyl-propyl]sulfanylquinazolin-4-olate Openeye Name: 2-[(2S)-2-chloro-3-(p-tolylsulfanyl)propyl]sulfanylquinazolin-4-olate CAS Name: 2-[[(2S)-2-chloro-3-[(4-methylphenyl)thio]propyl]thio]-4-quinazolinolate IUPAC Name: 2-[(2S)-2-chloro-3-(4-methylphenyl)sulfanylpropyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[(2S)-2-chloro-3-(p-tolylthio)propyl]thio]quinazolin-4-olate Formula: C18H16ClN2OS2- MolecularWeight: 375.91544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CSC2=NC3=CC=CC=C3C(=N2)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@@H](CSC2=NC3=CC=CC=C3C(=N2)[O-])Cl

InChI

InChI=1S/C18H17ClN2OS2/c1-12-6-8-14(9-7-12)23-10-13(19)11-24-18-20-16-5-3-2-4-15(16)17(22)21-18/h2-9,13H,10-11H2,1H3,(H,20,21,22)/p-1/t13-/m0/s1