(2R)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile

Systemtic Name: (2R)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Openeye Name: (2R)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2R)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-3-(p-tolyl)propionitrile Formula: C21H18ClN3OS MolecularWeight: 395.90512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H18ClN3OS/c1-3-10-25-20(26)18-12-16(22)8-9-19(18)24-21(25)27-17(13-23)11-15-6-4-14(2)5-7-15/h3-9,12,17H,1,10-11H2,2H3/t17-/m1/s1