(2R)-2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-(4-methylphenyl)propanenitrile

Systemtic Name: (2R)-2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-(4-methylphenyl)propanenitrile Openeye Name: (2R)-2-[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-2-[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2R)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]-3-(p-tolyl)propionitrile Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SC(CC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](CC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C23H25N3O2S/c1-3-28-14-6-13-26-22(27)20-7-4-5-8-21(20)25-23(26)29-19(16-24)15-18-11-9-17(2)10-12-18/h4-5,7-12,19H,3,6,13-15H2,1-2H3/t19-/m1/s1