1-(5-chloranylthiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-[(phenylmethyl)amino]-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-[(phenylmethyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(benzylamino)-1-(5-chloro-2-thienyl)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: 1-(5-chloro-2-thiophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-[(phenylmethyl)amino]-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(benzylamino)-1-(5-chlorothiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(benzylamino)-1-(5-chloro-2-thienyl)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C20H17ClN2OS2 MolecularWeight: 400.94478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC=C(S2)Cl)[O-])C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(C2=CC=C(S2)Cl)[O-])C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2OS2/c1-14-6-5-11-23(13-14)18(19(24)16-9-10-17(21)26-16)20(25)22-12-15-7-3-2-4-8-15/h2-11,13H,12H2,1H3,(H-,22,24,25)