N-(2,4-dinitrophenyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(2,4-dinitrophenyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(2,4-dinitrophenyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(2,4-dinitrophenyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(2,4-dinitrophenyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(2,4-dinitrophenyl)-2-(quinazolin-4-ylthio)acetamide Formula: C16H11N5O5S MolecularWeight: 385.35404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O5S/c22-15(8-27-16-11-3-1-2-4-12(11)17-9-18-16)19-13-6-5-10(20(23)24)7-14(13)21(25)26/h1-7,9H,8H2,(H,19,22)