(2S)-3-(4-tert-butylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

Systemtic Name: (2S)-3-(4-tert-butylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2S)-N-allyl-3-(4-tert-butylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanimidothioate CAS Name: (2S)-3-(4-tert-butylphenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2S)-3-(4-tert-butylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2S)-N-allyl-3-(4-tert-butylphenyl)-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionimidate Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(C(=O)C2=CC=C(C=C2)C(C)(C)C)C(=NCC=C)[S-]

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@@H](C(=O)C2=CC=C(C=C2)C(C)(C)C)C(=NCC=C)[S-]

InChI

InChI=1S/C22H26N2OS/c1-6-13-23-21(26)19(24-14-7-8-16(2)15-24)20(25)17-9-11-18(12-10-17)22(3,4)5/h6-12,14-15,19H,1,13H2,2-5H3/t19-/m0/s1