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

Systemtic Name: 4-[3-(4-methoxyoxan-4-yl)phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[3-(4-methoxytetrahydropyran-4-yl)phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[3-(4-methoxy-4-oxanyl)phenyl]sulfonyl-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[3-(4-methoxyoxan-4-yl)phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[3-(4-methoxytetrahydropyran-4-yl)phenyl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine Formula: C18H22N2O4S3 MolecularWeight: 426.57328

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCOCC1)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

Isomeric SMILES

COC1(CCOCC1)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

InChI

InChI=1S/C18H22N2O4S3/c1-23-18(6-8-24-9-7-18)12-4-3-5-13(10-12)27(21,22)15-11-14(16(19)20)26-17(15)25-2/h3-5,10-11H,6-9H2,1-2H3,(H3,19,20)