N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C25H27N5O2S MolecularWeight: 461.57918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H27N5O2S/c1-17-23(18(2)30(28-17)19-11-5-3-6-12-19)27-22(31)15-7-4-10-16-29-24(32)20-13-8-9-14-21(20)26-25(29)33/h3,5-6,8-9,11-14H,4,7,10,15-16H2,1-2H3,(H,26,33)(H,27,31)