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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[(3-methylphenyl)amino]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(3-methylanilino)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-mercapto-3-(3-methylanilino)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(3-methylanilino)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-mercapto-3-(m-toluidino)-1-(2-thienyl)prop-2-en-1-one Formula: C21H22N3OS2+ MolecularWeight: 396.54888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=C(C=C3)N(C)C)S

Isomeric SMILES

CC1=CC(=CC=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=C(C=C3)N(C)C)S

InChI

InChI=1S/C21H21N3OS2/c1-15-6-4-7-16(14-15)22-21(26)19(20(25)18-8-5-13-27-18)24-11-9-17(10-12-24)23(2)3/h4-14H,1-3H3,(H-,22,25,26)/p+1