4-[[7-chloranyl-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[7-chloranyl-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[7-chloro-3-[(2R)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[7-chloro-3-[(2R)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[7-chloro-3-[(2R)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[7-chloro-3-[(2R)-2-hydroxypropyl]-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C#N)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C19H16ClN3O2S/c1-12(24)10-23-18(25)16-7-6-15(20)8-17(16)22-19(23)26-11-14-4-2-13(9-21)3-5-14/h2-8,12,24H,10-11H2,1H3/t12-/m1/s1