N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: 1-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-6-oxo-pyridazine-3-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: 1-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-6-oxopyridazine-3-carboxamide Traditional Name: 1-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-6-keto-pyridazine-3-carboxamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H18N4O2S/c1-13-10-14(2)19-17(11-13)28-21(22-19)23-20(27)16-8-9-18(26)25(24-16)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,23,27)