N-[2-[(3-methylthiophen-2-yl)methyl]-1H-pyrazol-2-ium-3-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(3-methylthiophen-2-yl)methyl]-1H-pyrazol-2-ium-3-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-[(3-methyl-2-thienyl)methyl]-1H-pyrazol-2-ium-3-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-[(3-methyl-2-thiophenyl)methyl]-1H-pyrazol-2-ium-3-yl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-[(3-methylthiophen-2-yl)methyl]-1H-pyrazol-2-ium-3-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-[(3-methyl-2-thienyl)methyl]-1H-pyrazol-2-ium-3-yl]-3H-phthalazine-1-carboxamide Formula: C18H16N5O2S+ MolecularWeight: 366.41694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[N+]2=C(C=CN2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=C(SC=C1)C[N+]2=C(C=CN2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H15N5O2S/c1-11-7-9-26-14(11)10-23-15(6-8-19-23)20-18(25)16-12-4-2-3-5-13(12)17(24)22-21-16/h2-9H,10H2,1H3,(H2,19,20,22,24,25)/p+1