3-[(4-propan-2-ylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 3-[(4-propan-2-ylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(4-isopropylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-mercapto-3-(4-propan-2-ylanilino)-2-(1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(4-propan-2-ylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-cumidino-3-mercapto-2-pyridin-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:

CC(C)C1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)S

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)S

InChI

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