N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetamide Formula: C25H22FN5O2S MolecularWeight: 475.537883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=C(C(=C(N3C4=CC=C(C=C4)F)C)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=C(C(=C(N3C4=CC=C(C=C4)F)C)C)C#N

InChI

InChI=1S/C25H22FN5O2S/c1-14-5-10-21-19(11-14)24(33)30(4)25(28-21)34-13-22(32)29-23-20(12-27)15(2)16(3)31(23)18-8-6-17(26)7-9-18/h5-11H,13H2,1-4H3,(H,29,32)