5-methylsulfanyl-4-[3-(4-oxidanyloxan-4-yl)phenyl]sulfonyl-thiophene-2-carboximidamide

Systemtic Name: 5-methylsulfanyl-4-[3-(4-oxidanyloxan-4-yl)phenyl]sulfonyl-thiophene-2-carboximidamide Openeye Name: 4-[3-(4-hydroxytetrahydropyran-4-yl)phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[3-(4-hydroxy-4-oxanyl)phenyl]sulfonyl-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[3-(4-hydroxyoxan-4-yl)phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[3-(4-hydroxytetrahydropyran-4-yl)phenyl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine Formula: C17H20N2O4S3 MolecularWeight: 412.5467

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC=CC(=C2)C3(CCOCC3)O

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC=CC(=C2)C3(CCOCC3)O

InChI

InChI=1S/C17H20N2O4S3/c1-24-16-14(10-13(25-16)15(18)19)26(21,22)12-4-2-3-11(9-12)17(20)5-7-23-8-6-17/h2-4,9-10,20H,5-8H2,1H3,(H3,18,19)