(2S)-2-[2-[(1R)-1-cyanoethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]oxypropanenitrile

Systemtic Name: (2S)-2-[2-[(1R)-1-cyanoethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]oxypropanenitrile Openeye Name: (2S)-2-[2-[(1R)-1-cyanoethyl]sulfanyl-4-oxo-quinazolin-3-yl]oxypropanenitrile CAS Name: (2S)-2-[[2-[[(1R)-1-cyanoethyl]thio]-4-oxo-3-quinazolinyl]oxy]propanenitrile IUPAC Name: (2S)-2-[2-[(1R)-1-cyanoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxypropanenitrile Traditional Name: (2S)-2-[2-[[(1R)-1-cyanoethyl]thio]-4-keto-quinazolin-3-yl]oxypropionitrile Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)ON1C(=O)C2=CC=CC=C2N=C1SC(C)C#N

Isomeric SMILES

C[C@@H](C#N)ON1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C#N

InChI

InChI=1S/C14H12N4O2S/c1-9(7-15)20-18-13(19)11-5-3-4-6-12(11)17-14(18)21-10(2)8-16/h3-6,9-10H,1-2H3/t9-,10+/m0/s1