N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C30H29N5O3S MolecularWeight: 539.64796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C30H29N5O3S/c1-5-21-15-17-22(18-16-21)34-28(37)24-13-9-10-14-25(24)31-30(34)39-20(3)27(36)32-26-19(2)33(4)35(29(26)38)23-11-7-6-8-12-23/h6-18,20H,5H2,1-4H3,(H,32,36)