3-[4-[(E)-2-cyano-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]-1-phenyl-pyrazol-3-yl]-N,N-dipropyl-benzenesulfonamide

Systemtic Name: 3-[4-[(E)-2-cyano-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]-1-phenyl-pyrazol-3-yl]-N,N-dipropyl-benzenesulfonamide Openeye Name: 3-[4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)vinyl]-1-phenyl-pyrazol-3-yl]-N,N-dipropyl-benzenesulfonamide CAS Name: 3-[4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]-1-phenyl-3-pyrazolyl]-N,N-dipropylbenzenesulfonamide IUPAC Name: 3-[4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]-1-phenylpyrazol-3-yl]-N,N-dipropylbenzenesulfonamide Traditional Name: 3-[4-[(E)-2-cyano-2-(4-keto-1H-quinazolin-2-yl)vinyl]-1-phenyl-pyrazol-3-yl]-N,N-dipropyl-benzenesulfonamide Formula: C32H30N6O3S MolecularWeight: 578.684

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C32H30N6O3S/c1-3-17-37(18-4-2)42(40,41)27-14-10-11-23(20-27)30-25(22-38(36-30)26-12-6-5-7-13-26)19-24(21-33)31-34-29-16-9-8-15-28(29)32(39)35-31/h5-16,19-20,22H,3-4,17-18H2,1-2H3,(H,34,35,39)/b24-19+