N-(3-nitrophenyl)-2-quinazolin-4-ylsulfanyl-propanamide

Systemtic Name: N-(3-nitrophenyl)-2-quinazolin-4-ylsulfanyl-propanamide Openeye Name: N-(3-nitrophenyl)-2-quinazolin-4-ylsulfanyl-propanamide CAS Name: N-(3-nitrophenyl)-2-(4-quinazolinylthio)propanamide IUPAC Name: N-(3-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide Traditional Name: N-(3-nitrophenyl)-2-(quinazolin-4-ylthio)propionamide Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C17H14N4O3S/c1-11(16(22)20-12-5-4-6-13(9-12)21(23)24)25-17-14-7-2-3-8-15(14)18-10-19-17/h2-11H,1H3,(H,20,22)