2-[5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-sulfinato-azaniumyl]-2-ethoxy-phenyl]-7-hexyl-5-methyl-4-oxidanylidene-1H-imidazo[5,1-f][1,2,4]triazine

Systemtic Name: 2-[5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-sulfinato-azaniumyl]-2-ethoxy-phenyl]-7-hexyl-5-methyl-4-oxidanylidene-1H-imidazo[5,1-f][1,2,4]triazine Openeye Name: 2-[5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-sulfinato-ammonio]-2-ethoxy-phenyl]-7-hexyl-5-methyl-4-oxo-1H-imidazo[5,1-f][1,2,4]triazine CAS Name: 2-[5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-sulfinatoammonio]-2-ethoxyphenyl]-7-hexyl-5-methyl-4-oxo-1H-imidazo[5,1-f][1,2,4]triazine IUPAC Name: 2-[5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-sulfinatoazaniumyl]-2-ethoxyphenyl]-7-hexyl-5-methyl-4-oxo-1H-imidazo[5,1-f][1,2,4]triazine Traditional Name: 2-[2-ethoxy-5-(homoveratryl-methyl-sulfinato-ammonio)phenyl]-7-hexyl-4-keto-5-methyl-1H-imidazo[5,1-f][1,2,4]triazine Formula: C31H41N5O6S MolecularWeight: 611.75214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)[N+](C)(CCC4=CC(=C(C=C4)OC)OC)S(=O)[O-])OCC)C

Isomeric SMILES

CCCCCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)[N+](C)(CCC4=CC(=C(C=C4)OC)OC)S(=O)[O-])OCC)C

InChI

InChI=1S/C31H41N5O6S/c1-7-9-10-11-12-28-32-21(3)29-31(37)33-30(34-35(28)29)24-20-23(14-16-25(24)42-8-2)36(4,43(38)39)18-17-22-13-15-26(40-5)27(19-22)41-6/h13-16,19-20H,7-12,17-18H2,1-6H3,(H-,33,34,37,38,39)