4-[7-bromanyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[7-bromanyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[7-bromo-3-[(3,5-dimethylisoxazol-4-yl)methyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[[7-bromo-3-[(3,5-dimethyl-4-isoxazolyl)methyl]-5-benzimidazolyl]sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[7-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[7-bromo-3-[(3,5-dimethylisoxazol-4-yl)methyl]benzimidazol-5-yl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine Formula: C19H18BrN5O3S3 MolecularWeight: 540.47692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2C=NC3=C(C=C(C=C32)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC)Br

Isomeric SMILES

CC1=C(C(=NO1)C)CN2C=NC3=C(C=C(C=C32)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC)Br

InChI

InChI=1S/C19H18BrN5O3S3/c1-9-12(10(2)28-24-9)7-25-8-23-17-13(20)4-11(5-14(17)25)31(26,27)16-6-15(18(21)22)30-19(16)29-3/h4-6,8H,7H2,1-3H3,(H3,21,22)