methanesulfonate; N'-[3-[3-[4-(2-nitrophenyl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propylsulfanyl]methanimidamide

Systemtic Name: methanesulfonate; N'-[3-[3-[4-(2-nitrophenyl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propylsulfanyl]methanimidamide Openeye Name: methanesulfonate; N'-[3-[3-[4-(2-nitrophenyl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]propylsulfanyl]formamidine CAS Name: methanesulfonate; N'-[3-[3-[4-(2-nitrophenyl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propylthio]methanimidamide IUPAC Name: methanesulfonate; N'-[3-[3-[4-(2-nitrophenyl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propylsulfanyl]methanimidamide Traditional Name: N'-[3-[3-[2,5-diketo-4-(2-nitrophenyl)-3-pyrrolin-3-yl]indol-1-yl]propylthio]formamidine mesylate Formula: C23H22N5O7S2- MolecularWeight: 544.58008

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCCSN=CN)C3=C(C(=O)NC3=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCCS/N=C/N)C3=C(C(=O)NC3=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O4S.CH4O3S/c23-13-24-32-11-5-10-26-12-16(14-6-1-3-8-17(14)26)20-19(21(28)25-22(20)29)15-7-2-4-9-18(15)27(30)31;1-5(2,3)4/h1-4,6-9,12-13H,5,10-11H2,(H2,23,24)(H,25,28,29);1H3,(H,2,3,4)/p-1