3H-1,3-benzothiazol-2-ylidene-[(4S)-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-2-yl]azanium

Systemtic Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-2-yl]azanium Openeye Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-5-oxo-4-(3-pyridyl)-4,6,7,8-tetrahydro-1H-quinazolin-2-yl]ammonium CAS Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-5-oxo-4-(3-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-2-yl]ammonium IUPAC Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-2-yl]azanium Traditional Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-5-keto-4-(3-pyridyl)-4,6,7,8-tetrahydro-1H-quinazolin-2-yl]ammonium Formula: C20H18N5OS+ MolecularWeight: 376.45482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(N=C(N2)[NH+]=C3NC4=CC=CC=C4S3)C5=CN=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C([C@@H](N=C(N2)[NH+]=C3NC4=CC=CC=C4S3)C5=CN=CC=C5)C(=O)C1

InChI

InChI=1S/C20H17N5OS/c26-15-8-3-7-14-17(15)18(12-5-4-10-21-11-12)24-19(22-14)25-20-23-13-6-1-2-9-16(13)27-20/h1-2,4-6,9-11,18H,3,7-8H2,(H2,22,23,24,25)/p+1/t18-/m0/s1