ethyl 3-azanylidene-4-(1,3-benzothiazol-2-yl)-5-methyl-2-phenyl-4H-pyridazin-2-ium-6-carboxylate

Systemtic Name: ethyl 3-azanylidene-4-(1,3-benzothiazol-2-yl)-5-methyl-2-phenyl-4H-pyridazin-2-ium-6-carboxylate Openeye Name: ethyl 4-(1,3-benzothiazol-2-yl)-3-imino-5-methyl-2-phenyl-4H-pyridazin-2-ium-6-carboxylate CAS Name: 4-(1,3-benzothiazol-2-yl)-3-imino-5-methyl-2-phenyl-4H-pyridazin-2-ium-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazol-2-yl)-3-imino-5-methyl-2-phenyl-4H-pyridazin-2-ium-6-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-yl)-3-imino-5-methyl-2-phenyl-4H-pyridazin-2-ium-6-carboxylic acid ethyl ester Formula: C21H19N4O2S+ MolecularWeight: 391.46616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C(=N)[N+](=N1)C2=CC=CC=C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=C(C(C(=N)[N+](=N1)C2=CC=CC=C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H19N4O2S/c1-3-27-21(26)18-13(2)17(20-23-15-11-7-8-12-16(15)28-20)19(22)25(24-18)14-9-5-4-6-10-14/h4-12,17,22H,3H2,1-2H3/q+1