1-(3-chlorophenyl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(3-chlorophenyl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3-chlorophenyl)-3-(1-naphthylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3-chlorophenyl)-3-mercapto-3-(1-naphthalenylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3-chlorophenyl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3-chlorophenyl)-3-mercapto-3-(1-naphthylamino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C24H18ClN2OS+ MolecularWeight: 417.93052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(NC2=CC=CC3=CC=CC=C32)S)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=[N+](C=C1)C(=C(NC2=CC=CC3=CC=CC=C32)S)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H17ClN2OS/c25-19-11-6-10-18(16-19)23(28)22(27-14-4-1-5-15-27)24(29)26-21-13-7-9-17-8-2-3-12-20(17)21/h1-16H,(H-,26,28,29)/p+1