N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: 1-benzyl-N-(6-chlorothiochroman-4-yl)-6-oxo-pyridazine-3-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: 1-benzyl-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-oxopyridazine-3-carboxamide Traditional Name: 1-benzyl-N-(6-chlorothiochroman-4-yl)-6-keto-pyridazine-3-carboxamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)C=C(C=C2)Cl

InChI

InChI=1S/C21H18ClN3O2S/c22-15-6-8-19-16(12-15)17(10-11-28-19)23-21(27)18-7-9-20(26)25(24-18)13-14-4-2-1-3-5-14/h1-9,12,17H,10-11,13H2,(H,23,27)