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

Systemtic Name: 3-(naphthalen-1-ylamino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(1-naphthylamino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-3-(1-naphthalenylamino)-1-(3-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(naphthalen-1-ylamino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-mercapto-3-(1-naphthylamino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C24H18N3O3S+ MolecularWeight: 428.48302

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H17N3O3S/c28-23(18-10-6-11-19(16-18)27(29)30)22(26-14-4-1-5-15-26)24(31)25-21-13-7-9-17-8-2-3-12-20(17)21/h1-16H,(H-,25,28,31)/p+1