3-(3,4-dichlorophenyl)-2-[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 3-(3,4-dichlorophenyl)-2-[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-(3,4-dichlorophenyl)-2-[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-(3,4-dichlorophenyl)-2-[[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxoethyl]thio]-6-oxo-4-pyrimidinolate IUPAC Name: 3-(3,4-dichlorophenyl)-2-[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxoethyl]sulfanyl-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(acenaphthen-5-ylamino)-2-keto-ethyl]thio]-3-(3,4-dichlorophenyl)-6-keto-pyrimidin-4-olate Formula: C24H16Cl2N3O3S- MolecularWeight: 497.37314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)NC(=O)CSC4=NC(=O)C=C(N4C5=CC(=C(C=C5)Cl)Cl)[O-]

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)NC(=O)CSC4=NC(=O)C=C(N4C5=CC(=C(C=C5)Cl)Cl)[O-]

InChI

InChI=1S/C24H17Cl2N3O3S/c25-17-8-7-15(10-18(17)26)29-22(32)11-20(30)28-24(29)33-12-21(31)27-19-9-6-14-5-4-13-2-1-3-16(19)23(13)14/h1-3,6-11,32H,4-5,12H2,(H,27,31)/p-1