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

Systemtic Name: [(4S,4aR)-4-(4-methylphenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinazolin-2-yl]-(3H-1,3-benzothiazol-2-ylidene)azanium Openeye Name: [(4S,4aR)-5-oxo-4-(p-tolyl)-4,4a,6,7-tetrahydro-1H-quinazolin-2-yl]-(3H-1,3-benzothiazol-2-ylidene)ammonium CAS Name: [(4S,4aR)-4-(4-methylphenyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinazolin-2-yl]-(3H-1,3-benzothiazol-2-ylidene)ammonium IUPAC Name: [(4S,4aR)-4-(4-methylphenyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinazolin-2-yl]-(3H-1,3-benzothiazol-2-ylidene)azanium Traditional Name: [(4S,4aR)-5-keto-4-(p-tolyl)-4,4a,6,7-tetrahydro-1H-quinazolin-2-yl]-(3H-1,3-benzothiazol-2-ylidene)ammonium Formula: C22H21N4OS+ MolecularWeight: 389.49334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3C(=O)CCC=C3NC(=N2)[NH+]=C4NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@H]3C(=O)CCC=C3NC(=N2)[NH+]=C4NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N4OS/c1-13-9-11-14(12-10-13)20-19-16(6-4-7-17(19)27)23-21(25-20)26-22-24-15-5-2-3-8-18(15)28-22/h2-3,5-6,8-12,19-20H,4,7H2,1H3,(H2,23,24,25,26)/p+1/t19-,20-/m1/s1