3-phenylazanyl-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 3-phenylazanyl-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-anilino-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-anilino-3-mercapto-2-(4-propyl-1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-anilino-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-anilino-3-mercapto-2-(4-propylpyridin-1-ium-1-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C21H21N2OS2+ MolecularWeight: 381.53424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=CS3

Isomeric SMILES

CCCC1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2OS2/c1-2-7-16-11-13-23(14-12-16)19(20(24)18-10-6-15-26-18)21(25)22-17-8-4-3-5-9-17/h3-6,8-15H,2,7H2,1H3,(H-,22,24,25)/p+1