3-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanenitrile

Systemtic Name: 3-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanenitrile Openeye Name: 3-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylpropanenitrile CAS Name: 3-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanenitrile IUPAC Name: 3-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanenitrile Traditional Name: 3-[(3-allyl-4-keto-quinazolin-2-yl)thio]propionitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCCC#N

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCCC#N

InChI

InChI=1S/C14H13N3OS/c1-2-9-17-13(18)11-6-3-4-7-12(11)16-14(17)19-10-5-8-15/h2-4,6-7H,1,5,9-10H2