5-nitro-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-benzenecarbonitrile

Systemtic Name: 5-nitro-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-benzenecarbonitrile Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-5-nitro-benzonitrile CAS Name: 5-nitro-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]benzonitrile IUPAC Name: 5-nitro-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylbenzonitrile Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-5-nitro-benzonitrile Formula: C18H12N4O3S MolecularWeight: 364.37788

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H12N4O3S/c1-2-9-21-17(23)14-5-3-4-6-15(14)20-18(21)26-16-8-7-13(22(24)25)10-12(16)11-19/h2-8,10H,1,9H2