2-(3,4-dimethoxyphenyl)ethyl-[4-ethoxy-3-[7-(2-ethylpentyl)-5-methyl-4-oxidanylidene-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]-methyl-sulfino-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[4-ethoxy-3-[7-(2-ethylpentyl)-5-methyl-4-oxidanylidene-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]-methyl-sulfino-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[4-ethoxy-3-[7-(2-ethylpentyl)-5-methyl-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]-methyl-sulfino-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[4-ethoxy-3-[7-(2-ethylpentyl)-5-methyl-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]-methyl-sulfinoammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[4-ethoxy-3-[7-(2-ethylpentyl)-5-methyl-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]-methyl-sulfinoazanium Traditional Name: [4-ethoxy-3-[7-(2-ethylpentyl)-4-keto-5-methyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]-homoveratryl-methyl-sulfino-ammonium Formula: C32H44N5O6S+ MolecularWeight: 626.78666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CC1=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

CCCC(CC)CC1=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/C32H43N5O6S/c1-8-11-22(9-2)19-29-33-21(4)30-32(38)34-31(35-36(29)30)25-20-24(13-15-26(25)43-10-3)37(5,44(39)40)17-16-23-12-14-27(41-6)28(18-23)42-7/h12-15,18,20,22H,8-11,16-17,19H2,1-7H3,(H-,34,35,38,39,40)/p+1