N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxidanylidene-1-phenyl-pyridazine-3-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxidanylidene-1-phenyl-pyridazine-3-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-oxo-1-phenyl-pyridazine-3-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-1-phenyl-3-pyridazinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-1-phenylpyridazine-3-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-1-phenyl-pyridazine-3-carboxamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=CC3=O)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=CC3=O)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C20H18N4O3S/c21-18(26)16-13-8-4-5-9-15(13)28-20(16)22-19(27)17-14(25)10-11-24(23-17)12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H2,21,26)(H,22,27)