(E)-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(acenaphthen-5-ylthiocarbamoyl)-3-(3-nitrophenyl)acrylamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O3S/c26-20(12-7-14-3-1-5-17(13-14)25(27)28)24-22(29)23-19-11-10-16-9-8-15-4-2-6-18(19)21(15)16/h1-7,10-13H,8-9H2,(H2,23,24,26,29)/b12-7+