2-[3-(4-butan-2-ylphenyl)-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 2-[3-(4-butan-2-ylphenyl)-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 2-[6-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 2-[[3-(4-butan-2-ylphenyl)-6-chloro-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-6-chloro-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 2-[[6-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]propionitrile Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SC(C)C#N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SC(C)C#N

InChI

InChI=1S/C21H20ClN3OS/c1-4-13(2)15-5-8-17(9-6-15)25-20(26)18-11-16(22)7-10-19(18)24-21(25)27-14(3)12-23/h5-11,13-14H,4H2,1-3H3