N-[4-(cyanomethyl)phenyl]-5-methylsulfanyl-N,4-bis(propan-2-ylsulfonyl)thiophene-2-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-5-methylsulfanyl-N,4-bis(propan-2-ylsulfonyl)thiophene-2-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-N,4-bis(isopropylsulfonyl)-5-methylsulfanyl-thiophene-2-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-5-(methylthio)-N,4-bis(propan-2-ylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-5-methylsulfanyl-N,4-bis(propan-2-ylsulfonyl)thiophene-2-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-N,4-bis(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxamide Formula: C20H24N2O5S4 MolecularWeight: 500.67496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(SC(=C1)C(=O)N(C2=CC=C(C=C2)CC#N)S(=O)(=O)C(C)C)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(SC(=C1)C(=O)N(C2=CC=C(C=C2)CC#N)S(=O)(=O)C(C)C)SC

InChI

InChI=1S/C20H24N2O5S4/c1-13(2)30(24,25)18-12-17(29-20(18)28-5)19(23)22(31(26,27)14(3)4)16-8-6-15(7-9-16)10-11-21/h6-9,12-14H,10H2,1-5H3