3-(3,4-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,4-dimethylphenyl)-2-[(2-phenylthiazol-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,4-dimethylphenyl)-2-[(2-phenyl-4-thiazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,4-dimethylphenyl)-2-[(2-phenylthiazol-4-yl)methylthio]quinazolin-4-one Formula: C26H21N3OS2 MolecularWeight: 455.59444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CSC(=N4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CSC(=N4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H21N3OS2/c1-17-12-13-21(14-18(17)2)29-25(30)22-10-6-7-11-23(22)28-26(29)32-16-20-15-31-24(27-20)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3