3H-1,3-benzothiazol-2-ylidene-[4-(5-propylpyridin-2-yl)phenyl]carbonyl-azanium

Systemtic Name: 3H-1,3-benzothiazol-2-ylidene-[4-(5-propylpyridin-2-yl)phenyl]carbonyl-azanium Openeye Name: 3H-1,3-benzothiazol-2-ylidene-[4-(5-propyl-2-pyridyl)benzoyl]ammonium CAS Name: 3H-1,3-benzothiazol-2-ylidene-[oxo-[4-(5-propyl-2-pyridinyl)phenyl]methyl]ammonium IUPAC Name: 3H-1,3-benzothiazol-2-ylidene-[4-(5-propylpyridin-2-yl)benzoyl]azanium Traditional Name: 3H-1,3-benzothiazol-2-ylidene-[4-(5-propyl-2-pyridyl)benzoyl]ammonium Formula: C22H20N3OS+ MolecularWeight: 374.4787

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)[NH+]=C3NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)[NH+]=C3NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3OS/c1-2-5-15-8-13-18(23-14-15)16-9-11-17(12-10-16)21(26)25-22-24-19-6-3-4-7-20(19)27-22/h3-4,6-14H,2,5H2,1H3,(H,24,25,26)/p+1