(2S)-N-(3-nitrophenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-nitrophenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(3-nitrophenyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(3-nitrophenyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(3-nitrophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]-N-(3-nitrophenyl)propionamide Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C23H19N5O4S/c1-15(21(29)25-17-7-4-8-18(12-17)28(31)32)33-23-26-20-10-3-2-9-19(20)22(30)27(23)14-16-6-5-11-24-13-16/h2-13,15H,14H2,1H3,(H,25,29)/t15-/m0/s1