N-[(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-nitro-benzamide

Systemtic Name: N-[(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-nitro-benzamide Openeye Name: N-[(3-amino-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-nitro-benzamide CAS Name: N-[[(3-amino-4-oxo-2-quinazolinyl)thio]methyl]-4-nitrobenzamide IUPAC Name: N-[(3-amino-4-oxoquinazolin-2-yl)sulfanylmethyl]-4-nitrobenzamide Traditional Name: N-[[(3-amino-4-keto-quinazolin-2-yl)thio]methyl]-4-nitro-benzamide Formula: C16H13N5O4S MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H13N5O4S/c17-20-15(23)12-3-1-2-4-13(12)19-16(20)26-9-18-14(22)10-5-7-11(8-6-10)21(24)25/h1-8H,9,17H2,(H,18,22)