7-methoxy-4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]-2-phenylazanyl-quinoline-3-carbonitrile

Systemtic Name: 7-methoxy-4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]-2-phenylazanyl-quinoline-3-carbonitrile Openeye Name: 2-anilino-7-methoxy-4-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]quinoline-3-carbonitrile CAS Name: 2-anilino-7-methoxy-4-[(4-oxo-1H-quinazolin-2-yl)thio]-3-quinolinecarbonitrile IUPAC Name: 2-anilino-7-methoxy-4-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]quinoline-3-carbonitrile Traditional Name: 2-anilino-4-[(4-keto-1H-quinazolin-2-yl)thio]-7-methoxy-quinoline-3-carbonitrile Formula: C25H17N5O2S MolecularWeight: 451.49978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(C(=N2)NC3=CC=CC=C3)C#N)SC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(C(=N2)NC3=CC=CC=C3)C#N)SC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H17N5O2S/c1-32-16-11-12-17-21(13-16)28-23(27-15-7-3-2-4-8-15)19(14-26)22(17)33-25-29-20-10-6-5-9-18(20)24(31)30-25/h2-13H,1H3,(H,27,28)(H,29,30,31)