methyl-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: methyl-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: methyl-[[1-oxo-4-(2-thienyl)phthalazin-2-yl]methyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[(1-oxo-4-thiophen-2-yl-2-phthalazinyl)methyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: methyl-[(1-oxo-4-thiophen-2-ylphthalazin-2-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [1-keto-4-(2-thienyl)phthalazin-2-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C24H22N5OS+ MolecularWeight: 428.52938

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C24H21N5OS/c1-27(15-18-14-25-28(16-18)19-8-3-2-4-9-19)17-29-24(30)21-11-6-5-10-20(21)23(26-29)22-12-7-13-31-22/h2-14,16H,15,17H2,1H3/p+1