propan-2-yl 5-azanyl-3-(4-chlorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: propan-2-yl 5-azanyl-3-(4-chlorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: isopropyl 5-amino-3-(4-chlorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-amino-3-(4-chlorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-amino-3-(4-chlorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid isopropyl ester Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)OC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3O3S/c1-8(2)23-16(22)13-11-7-24-14(18)12(11)15(21)20(19-13)10-5-3-9(17)4-6-10/h3-8H,18H2,1-2H3