(2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(5-chloranylthiophen-2-yl)-N-cyclopropyl-3-oxidanylidene-propanimidothioate

Systemtic Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(5-chloranylthiophen-2-yl)-N-cyclopropyl-3-oxidanylidene-propanimidothioate Openeye Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(5-chloro-2-thienyl)-N-cyclopropyl-3-oxo-propanimidothioate CAS Name: (2R)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(5-chloro-2-thiophenyl)-N-cyclopropyl-3-oxopropanimidothioate IUPAC Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(5-chlorothiophen-2-yl)-N-cyclopropyl-3-oxopropanimidothioate Traditional Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(5-chloro-2-thienyl)-N-cyclopropyl-3-keto-thiopropionimidate Formula: C19H21ClN2OS2 MolecularWeight: 392.96584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(C(=O)C2=CC=C(S2)Cl)C(=NC3CC3)[S-]

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)[C@H](C(=O)C2=CC=C(S2)Cl)C(=NC3CC3)[S-]

InChI

InChI=1S/C19H21ClN2OS2/c1-19(2,3)12-8-10-22(11-9-12)16(18(24)21-13-4-5-13)17(23)14-6-7-15(20)25-14/h6-11,13,16H,4-5H2,1-3H3/t16-/m1/s1