ethyl 4-[1-(1,3-benzothiazol-2-yl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(1,3-benzothiazol-2-yl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-(1,3-benzothiazol-2-yl)-5-chloro-6-oxo-pyridazin-4-yl]piperazine-1-carboxylate CAS Name: 4-[1-(1,3-benzothiazol-2-yl)-5-chloro-6-oxo-4-pyridazinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(1,3-benzothiazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(1,3-benzothiazol-2-yl)-5-chloro-6-keto-pyridazin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H18ClN5O3S MolecularWeight: 419.88522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H18ClN5O3S/c1-2-27-18(26)23-9-7-22(8-10-23)13-11-20-24(16(25)15(13)19)17-21-12-5-3-4-6-14(12)28-17/h3-6,11H,2,7-10H2,1H3