2-chloranyl-3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)naphthalene-1,4-dione hydrochloride

Systemtic Name: 2-chloranyl-3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)naphthalene-1,4-dione hydrochloride Openeye Name: 2-chloro-3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)naphthalene-1,4-dione hydrochloride CAS Name: 2-chloro-3-(4,5-dihydro-1H-imidazol-2-ylthio)naphthalene-1,4-dione hydrochloride IUPAC Name: 2-chloro-3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)naphthalene-1,4-dione hydrochloride Traditional Name: 2-chloro-3-(2-imidazolin-2-ylthio)-1,4-naphthoquinone hydrochloride Formula: C13H10Cl2N2O2S MolecularWeight: 329.2017

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)SC2=C(C(=O)C3=CC=CC=C3C2=O)Cl.Cl

Isomeric SMILES

C1CN=C(N1)SC2=C(C(=O)C3=CC=CC=C3C2=O)Cl.Cl

InChI

InChI=1S/C13H9ClN2O2S.ClH/c14-9-10(17)7-3-1-2-4-8(7)11(18)12(9)19-13-15-5-6-16-13;/h1-4H,5-6H2,(H,15,16);1H