2-(5-ethylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-6,7-dimethoxy-1,3-dimethyl-isoquinolin-2-ium

Systemtic Name: 2-(5-ethylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-6,7-dimethoxy-1,3-dimethyl-isoquinolin-2-ium Openeye Name: 2-(5-ethylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-6,7-dimethoxy-1,3-dimethyl-isoquinolin-2-ium CAS Name: 2-[5-(ethylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-1,3-dimethylisoquinolin-2-ium IUPAC Name: 2-(5-ethylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-6,7-dimethoxy-1,3-dimethylisoquinolin-2-ium Traditional Name: 2-[5-(ethylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-1,3-dimethyl-isoquinolin-2-ium Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C([N-]1)[N+]2=C(C3=CC(=C(C=C3C=C2C)OC)OC)C

Isomeric SMILES

CCSC1=NN=C([N-]1)[N+]2=C(C3=CC(=C(C=C3C=C2C)OC)OC)C

InChI

InChI=1S/C17H20N4O2S/c1-6-24-17-18-16(19-20-17)21-10(2)7-12-8-14(22-4)15(23-5)9-13(12)11(21)3/h7-9H,6H2,1-5H3