1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium

Systemtic Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Openeye Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium CAS Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-[3-(propylthio)-1H-1,2,4-triazol-5-yl]isoquinolin-2-ium IUPAC Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Traditional Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-[3-(propylthio)-1H-1,2,4-triazol-5-yl]isoquinolin-2-ium Formula: C23H24ClN4O2S+ MolecularWeight: 455.98026

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NNC(=N1)[N+]2=C(C3=CC(=C(C=C3C=C2C)OC)OC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCSC1=NNC(=N1)[N+]2=C(C3=CC(=C(C=C3C=C2C)OC)OC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN4O2S/c1-5-10-31-23-25-22(26-27-23)28-14(2)11-16-12-19(29-3)20(30-4)13-18(16)21(28)15-6-8-17(24)9-7-15/h6-9,11-13H,5,10H2,1-4H3,(H,25,26,27)/q+1