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

Systemtic Name: 3-azanylidene-N-(4-bromanyl-3-methyl-phenyl)-N'-(4-ethoxyphenyl)-5-methyl-1,2-thiazole-2-carboximidamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-N'-(4-ethoxyphenyl)-3-imino-5-methyl-isothiazole-2-carboxamidine CAS Name: N-(4-bromo-3-methylphenyl)-N'-(4-ethoxyphenyl)-3-imino-5-methyl-2-isothiazolecarboximidamide IUPAC Name: N-(4-bromo-3-methylphenyl)-N'-(4-ethoxyphenyl)-3-imino-5-methyl-1,2-thiazole-2-carboximidamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-imino-5-methyl-N'-p-phenetyl-4-isothiazoline-2-carboxamidine Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(NC2=CC(=C(C=C2)Br)C)N3C(=N)C=C(S3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(NC2=CC(=C(C=C2)Br)C)N3C(=N)C=C(S3)C

InChI

InChI=1S/C20H21BrN4OS/c1-4-26-17-8-5-15(6-9-17)23-20(25-19(22)12-14(3)27-25)24-16-7-10-18(21)13(2)11-16/h5-12,22H,4H2,1-3H3,(H,23,24)