2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-[(phenylmethyl)amino]-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-[(phenylmethyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3,4-dichlorophenyl)-3-[(phenylmethyl)amino]-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-thioxo-prop-1-en-1-olate Formula: C25H24Cl2N2OS MolecularWeight: 471.44186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24Cl2N2OS/c1-25(2,3)19-11-13-29(14-12-19)22(23(30)18-9-10-20(26)21(27)15-18)24(31)28-16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H-,28,30,31)