4-[3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-2-hydroxy-propoxy]benzonitrile Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C21H19N3O3S/c22-11-14-5-9-17(10-6-14)27-12-16(25)13-28-21-23-19-4-2-1-3-18(19)20(26)24(21)15-7-8-15/h1-6,9-10,15-16,25H,7-8,12-13H2