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

Systemtic Name: ethyl 6-azanylidene-5-(1,3-benzothiazol-2-yl)-4-methyl-1-phenyl-pyridazine-3-carboxylate Openeye Name: ethyl 5-(1,3-benzothiazol-2-yl)-6-imino-4-methyl-1-phenyl-pyridazine-3-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-6-imino-4-methyl-1-phenyl-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzothiazol-2-yl)-6-imino-4-methyl-1-phenylpyridazine-3-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)-6-imino-4-methyl-1-phenyl-pyridazine-3-carboxylic acid ethyl ester Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=N)C(=C1C)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=N)C(=C1C)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/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/h4-12,22H,3H2,1-2H3