(2R)-3-(5-chloranylthiophen-2-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

Systemtic Name: (2R)-3-(5-chloranylthiophen-2-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2R)-N-allyl-3-(5-chloro-2-thienyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxo-propanimidothioate CAS Name: (2R)-3-(5-chloro-2-thiophenyl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2R)-3-(5-chlorothiophen-2-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2R)-N-allyl-3-(5-chloro-2-thienyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-keto-thiopropionimidate Formula: C17H18ClN3OS2 MolecularWeight: 379.92732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3OS2/c1-4-9-19-17(23)15(16(22)13-5-6-14(18)24-13)21-10-7-12(8-11-21)20(2)3/h4-8,10-11,15H,1,9H2,2-3H3/t15-/m1/s1