diethyl-[2-[(3S)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: diethyl-[2-[(3S)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: diethyl-[2-oxo-2-[(3S)-3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]ammonium CAS Name: diethyl-[2-[(3S)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]ammonium IUPAC Name: diethyl-[2-[(3S)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]azanium Traditional Name: diethyl-[2-keto-2-[(5S)-5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]ammonium Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC)CC(=O)N1[C@@H](CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H25N3OS/c1-4-22(5-2)14-20(24)23-18(16-10-8-15(3)9-11-16)13-17(21-23)19-7-6-12-25-19/h6-12,18H,4-5,13-14H2,1-3H3/p+1/t18-/m0/s1