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

Systemtic Name: 2-[(2S)-2-chloranyl-3-(4-nitrophenyl)sulfanyl-propyl]sulfanylquinazolin-4-olate Openeye Name: 2-[(2S)-2-chloro-3-(4-nitrophenyl)sulfanyl-propyl]sulfanylquinazolin-4-olate CAS Name: 2-[[(2S)-2-chloro-3-[(4-nitrophenyl)thio]propyl]thio]-4-quinazolinolate IUPAC Name: 2-[(2S)-2-chloro-3-(4-nitrophenyl)sulfanylpropyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[(2S)-2-chloro-3-[(4-nitrophenyl)thio]propyl]thio]quinazolin-4-olate Formula: C17H13ClN3O3S2- MolecularWeight: 406.88642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC(CSC3=CC=C(C=C3)[N+](=O)[O-])Cl)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SC[C@H](CSC3=CC=C(C=C3)[N+](=O)[O-])Cl)[O-]

InChI

InChI=1S/C17H14ClN3O3S2/c18-11(9-25-13-7-5-12(6-8-13)21(23)24)10-26-17-19-15-4-2-1-3-14(15)16(22)20-17/h1-8,11H,9-10H2,(H,19,20,22)/p-1/t11-/m0/s1