N-ethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-quinazolin-4-amine

Systemtic Name: N-ethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-quinazolin-4-amine Openeye Name: N-ethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-quinazolin-4-amine CAS Name: N-ethyl-2-[(4-methylsulfonyl-2-nitrophenyl)thio]-4-quinazolinamine IUPAC Name: N-ethyl-2-(4-methylsulfonyl-2-nitrophenyl)sulfanylquinazolin-4-amine Traditional Name: ethyl-[2-[(4-mesyl-2-nitro-phenyl)thio]quinazolin-4-yl]amine Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S2/c1-3-18-16-12-6-4-5-7-13(12)19-17(20-16)26-15-9-8-11(27(2,24)25)10-14(15)21(22)23/h4-10H,3H2,1-2H3,(H,18,19,20)