3-azanyl-N'-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-thiazol-2-ium-2-carboximidamide

Systemtic Name: 3-azanyl-N'-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-thiazol-2-ium-2-carboximidamide Openeye Name: 3-amino-N'-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-isothiazol-2-ium-2-carboxamidine CAS Name: 3-amino-N'-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-2-isothiazol-2-iumcarboximidamide IUPAC Name: 3-amino-N'-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-thiazol-2-ium-2-carboximidamide Traditional Name: 3-amino-N'-(2,3-dimethylphenyl)-5-methyl-N-p-phenetyl-isothiazol-2-ium-2-carboxamidine Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=NC2=CC=CC(=C2C)C)[N+]3=C(C=C(S3)C)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=NC2=CC=CC(=C2C)C)[N+]3=C(C=C(S3)C)N

InChI

InChI=1S/C21H24N4OS/c1-5-26-18-11-9-17(10-12-18)23-21(25-20(22)13-15(3)27-25)24-19-8-6-7-14(2)16(19)4/h6-13,22H,5H2,1-4H3,(H,23,24)/p+1