3-azanylidene-N-(4-bromanyl-3-methyl-phenyl)-N'-(4-ethanoylphenyl)-5-methyl-1,2-thiazole-2-carboximidamide

Systemtic Name: 3-azanylidene-N-(4-bromanyl-3-methyl-phenyl)-N'-(4-ethanoylphenyl)-5-methyl-1,2-thiazole-2-carboximidamide Openeye Name: N'-(4-acetylphenyl)-N-(4-bromo-3-methyl-phenyl)-3-imino-5-methyl-isothiazole-2-carboxamidine CAS Name: N'-(4-acetylphenyl)-N-(4-bromo-3-methylphenyl)-3-imino-5-methyl-2-isothiazolecarboximidamide IUPAC Name: N'-(4-acetylphenyl)-N-(4-bromo-3-methylphenyl)-3-imino-5-methyl-1,2-thiazole-2-carboximidamide Traditional Name: N'-(4-acetylphenyl)-N-(4-bromo-3-methyl-phenyl)-3-imino-5-methyl-4-isothiazoline-2-carboxamidine Formula: C20H19BrN4OS MolecularWeight: 443.36006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N)N(S1)C(=NC2=CC=C(C=C2)C(=O)C)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=N)N(S1)C(=NC2=CC=C(C=C2)C(=O)C)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C20H19BrN4OS/c1-12-10-17(8-9-18(12)21)24-20(25-19(22)11-13(2)27-25)23-16-6-4-15(5-7-16)14(3)26/h4-11,22H,1-3H3,(H,23,24)