N-[4-[[2-(5-chloranyl-4-sulfanylidene-cyclohexa-1,5-dien-1-yl)oxyphenyl]amino]-3-cyano-quinolin-6-yl]but-2-ynamide

Systemtic Name: N-[4-[[2-(5-chloranyl-4-sulfanylidene-cyclohexa-1,5-dien-1-yl)oxyphenyl]amino]-3-cyano-quinolin-6-yl]but-2-ynamide Openeye Name: N-[4-[2-(5-chloro-4-thioxo-cyclohexa-1,5-dien-1-yl)oxyanilino]-3-cyano-6-quinolyl]but-2-ynamide CAS Name: N-[4-[2-[(5-chloro-4-sulfanylidene-1-cyclohexa-1,5-dienyl)oxy]anilino]-3-cyano-6-quinolinyl]-2-butynamide IUPAC Name: N-[4-[2-(5-chloro-4-sulfanylidenecyclohexa-1,5-dien-1-yl)oxyanilino]-3-cyanoquinolin-6-yl]but-2-ynamide Traditional Name: N-[4-[2-(5-chloro-4-thioxo-cyclohexa-1,5-dien-1-yl)oxyanilino]-3-cyano-6-quinolyl]but-2-ynamide Formula: C26H17ClN4O2S MolecularWeight: 484.95678

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC=CC=C3OC4=CCC(=S)C(=C4)Cl

Isomeric SMILES

CC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC=CC=C3OC4=CCC(=S)C(=C4)Cl

InChI

InChI=1S/C26H17ClN4O2S/c1-2-5-25(32)30-17-8-10-21-19(12-17)26(16(14-28)15-29-21)31-22-6-3-4-7-23(22)33-18-9-11-24(34)20(27)13-18/h3-4,6-10,12-13,15H,11H2,1H3,(H,29,31)(H,30,32)