[(4S,4aR)-4-(4-fluorophenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinazolin-2-yl]-(3H-1,3-benzothiazol-2-ylidene)azanium

Systemtic Name: [(4S,4aR)-4-(4-fluorophenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinazolin-2-yl]-(3H-1,3-benzothiazol-2-ylidene)azanium Openeye Name: [(4S,4aR)-4-(4-fluorophenyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinazolin-2-yl]-(3H-1,3-benzothiazol-2-ylidene)ammonium CAS Name: [(4S,4aR)-4-(4-fluorophenyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinazolin-2-yl]-(3H-1,3-benzothiazol-2-ylidene)ammonium IUPAC Name: [(4S,4aR)-4-(4-fluorophenyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinazolin-2-yl]-(3H-1,3-benzothiazol-2-ylidene)azanium Traditional Name: [(4S,4aR)-4-(4-fluorophenyl)-5-keto-4,4a,6,7-tetrahydro-1H-quinazolin-2-yl]-(3H-1,3-benzothiazol-2-ylidene)ammonium Formula: C21H18FN4OS+ MolecularWeight: 393.457223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2C(N=C(NC2=C1)[NH+]=C3NC4=CC=CC=C4S3)C5=CC=C(C=C5)F

Isomeric SMILES

C1CC(=O)[C@@H]2[C@H](N=C(NC2=C1)[NH+]=C3NC4=CC=CC=C4S3)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H17FN4OS/c22-13-10-8-12(9-11-13)19-18-15(5-3-6-16(18)27)23-20(25-19)26-21-24-14-4-1-2-7-17(14)28-21/h1-2,4-5,7-11,18-19H,3,6H2,(H2,23,24,25,26)/p+1/t18-,19-/m1/s1