2-(2,4-dinitrophenyl)sulfanyl-4aH-quinazolin-4-one

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-4aH-quinazolin-4-one Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-4aH-quinazolin-4-one CAS Name: 2-[(2,4-dinitrophenyl)thio]-4aH-quinazolin-4-one IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-4aH-quinazolin-4-one Traditional Name: 2-[(2,4-dinitrophenyl)thio]-4aH-quinazolin-4-one Formula: C14H8N4O5S MolecularWeight: 344.30212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(=NC2=O)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C=C1

Isomeric SMILES

C1=CC2C(=NC(=NC2=O)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C=C1

InChI

InChI=1S/C14H8N4O5S/c19-13-9-3-1-2-4-10(9)15-14(16-13)24-12-6-5-8(17(20)21)7-11(12)18(22)23/h1-7,9H