4-[4-oxidanylidene-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[4-oxidanylidene-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[4-oxo-2-[4-oxo-4-(2-thienyl)butyl]sulfanyl-quinazolin-3-yl]benzonitrile CAS Name: 4-[4-oxo-2-[(4-oxo-4-thiophen-2-ylbutyl)thio]-3-quinazolinyl]benzonitrile IUPAC Name: 4-[4-oxo-2-(4-oxo-4-thiophen-2-ylbutyl)sulfanylquinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[[4-keto-4-(2-thienyl)butyl]thio]quinazolin-3-yl]benzonitrile Formula: C23H17N3O2S2 MolecularWeight: 431.52998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)C3=CC=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)C3=CC=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H17N3O2S2/c24-15-16-9-11-17(12-10-16)26-22(28)18-5-1-2-6-19(18)25-23(26)30-14-3-7-20(27)21-8-4-13-29-21/h1-2,4-6,8-13H,3,7,14H2