4-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazol-3-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazol-3-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-(p-tolyl)-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazol-3-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazol-3-one IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazol-3-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-(p-tolyl)-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazol-3-one Formula: C25H16F3N3OS2 MolecularWeight: 495.53925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(NC(=O)C(=C3N2C4=CC=CC=C4S3)C5=NC6=CC=CC=C6S5)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2(NC(=O)C(=C3N2C4=CC=CC=C4S3)C5=NC6=CC=CC=C6S5)C(F)(F)F

InChI

InChI=1S/C25H16F3N3OS2/c1-14-10-12-15(13-11-14)24(25(26,27)28)30-21(32)20(22-29-16-6-2-4-8-18(16)33-22)23-31(24)17-7-3-5-9-19(17)34-23/h2-13H,1H3,(H,30,32)