2-methyl-8-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methoxy]quinolin-1-ium

Systemtic Name: 2-methyl-8-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methoxy]quinolin-1-ium Openeye Name: 2-methyl-8-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methoxy]quinolin-1-ium CAS Name: 2-methyl-8-[[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]methoxy]quinolin-1-ium IUPAC Name: 2-methyl-8-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methoxy]quinolin-1-ium Traditional Name: 2-methyl-8-[[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]methoxy]quinolin-1-ium Formula: C15H17N4OS+ MolecularWeight: 301.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=CC=C2OCC3=NN=C(N3C)SC)C=C1

Isomeric SMILES

CC1=[NH+]C2=C(C=CC=C2OCC3=NN=C(N3C)SC)C=C1

InChI

InChI=1S/C15H16N4OS/c1-10-7-8-11-5-4-6-12(14(11)16-10)20-9-13-17-18-15(21-3)19(13)2/h4-8H,9H2,1-3H3/p+1