4-[3-[2-(hydroxymethyl)-6-methyl-phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[3-[2-(hydroxymethyl)-6-methyl-phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[3-[2-(hydroxymethyl)-6-methyl-phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[3-[2-(hydroxymethyl)-6-methylphenyl]phenyl]sulfonyl-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[3-[2-(hydroxymethyl)-6-methylphenyl]phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[3-(2-methyl-6-methylol-phenyl)phenyl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine Formula: C20H20N2O3S3 MolecularWeight: 432.5794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CO)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

Isomeric SMILES

CC1=C(C(=CC=C1)CO)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

InChI

InChI=1S/C20H20N2O3S3/c1-12-5-3-7-14(11-23)18(12)13-6-4-8-15(9-13)28(24,25)17-10-16(19(21)22)27-20(17)26-2/h3-10,23H,11H2,1-2H3,(H3,21,22)