4-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: 4-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: 4-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: 4-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-3-keto-2-(4-methylthiazol-2-yl)butyronitrile Formula: C21H21ClN4O2S2 MolecularWeight: 461.00004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

InChI

InChI=1S/C21H21ClN4O2S2/c1-12(2)6-7-26-20(28)15-5-4-14(22)8-17(15)25-21(26)30-11-18(27)16(9-23)19-24-13(3)10-29-19/h4-5,8,10,12,16H,6-7,11H2,1-3H3