3-(4-chlorophenyl)-4-cyano-5-(2-methylpropylsulfanyl)thiophene-2-carboxylate

Systemtic Name: 3-(4-chlorophenyl)-4-cyano-5-(2-methylpropylsulfanyl)thiophene-2-carboxylate Openeye Name: 3-(4-chlorophenyl)-4-cyano-5-isobutylsulfanyl-thiophene-2-carboxylate CAS Name: 3-(4-chlorophenyl)-4-cyano-5-(2-methylpropylthio)-2-thiophenecarboxylate IUPAC Name: 3-(4-chlorophenyl)-4-cyano-5-(2-methylpropylsulfanyl)thiophene-2-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-cyano-5-(isobutylthio)-2-thenoate Formula: C16H13ClNO2S2- MolecularWeight: 350.86292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C(=C(S1)C(=O)[O-])C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CC(C)CSC1=C(C(=C(S1)C(=O)[O-])C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C16H14ClNO2S2/c1-9(2)8-21-16-12(7-18)13(14(22-16)15(19)20)10-3-5-11(17)6-4-10/h3-6,9H,8H2,1-2H3,(H,19,20)/p-1