4-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-3-nitrobenzamide IUPAC Name: 4-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-3-nitro-benzamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-27-9-8-21-17(24)12-4-2-3-5-13(12)20-18(21)28-15-7-6-11(16(19)23)10-14(15)22(25)26/h2-7,10H,8-9H2,1H3,(H2,19,23)