4-(benzotriazol-1-yl)-2-phenyl-6-thiophen-2-ylcarbonyl-pyridazin-3-one

Systemtic Name: 4-(benzotriazol-1-yl)-2-phenyl-6-thiophen-2-ylcarbonyl-pyridazin-3-one Openeye Name: 4-(benzotriazol-1-yl)-2-phenyl-6-(thiophene-2-carbonyl)pyridazin-3-one CAS Name: 4-(1-benzotriazolyl)-6-[oxo(thiophen-2-yl)methyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-(benzotriazol-1-yl)-2-phenyl-6-(thiophene-2-carbonyl)pyridazin-3-one Traditional Name: 4-(benzotriazol-1-yl)-2-phenyl-6-(2-thenoyl)pyridazin-3-one Formula: C21H13N5O2S MolecularWeight: 399.42522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC(=N2)C(=O)C3=CC=CS3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC(=N2)C(=O)C3=CC=CS3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H13N5O2S/c27-20(19-11-6-12-29-19)16-13-18(26-17-10-5-4-9-15(17)22-24-26)21(28)25(23-16)14-7-2-1-3-8-14/h1-13H