2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(phenylmethyl)amino]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(phenylmethyl)amino]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-mercapto-3-[(phenylmethyl)amino]-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-mercapto-1-(2-thienyl)prop-2-en-1-one Formula: C23H25N2OS2+ MolecularWeight: 409.5874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(=C(NCC2=CC=CC=C2)S)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C(=C(NCC2=CC=CC=C2)S)C(=O)C3=CC=CS3

InChI

InChI=1S/C23H24N2OS2/c1-23(2,3)18-11-13-25(14-12-18)20(21(26)19-10-7-15-28-19)22(27)24-16-17-8-5-4-6-9-17/h4-15H,16H2,1-3H3,(H-,24,26,27)/p+1