N-(3-cyanothiophen-2-yl)-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-(3-cyano-2-thienyl)acetamide Formula: C21H15N5OS2 MolecularWeight: 417.5067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H15N5OS2/c22-12-14-10-11-28-20(14)25-18(27)13-29-21-24-17-9-5-4-8-16(17)19(26-21)23-15-6-2-1-3-7-15/h1-11H,13H2,(H,25,27)(H,23,24,26)