2-butylsulfanyl-4-chloranyl-5-(phenylcarbonyl)thiophene-3-carbonitrile

Systemtic Name: 2-butylsulfanyl-4-chloranyl-5-(phenylcarbonyl)thiophene-3-carbonitrile Openeye Name: 5-benzoyl-2-butylsulfanyl-4-chloro-thiophene-3-carbonitrile CAS Name: 5-benzoyl-2-(butylthio)-4-chloro-3-thiophenecarbonitrile IUPAC Name: 5-benzoyl-2-butylsulfanyl-4-chlorothiophene-3-carbonitrile Traditional Name: 5-benzoyl-2-(butylthio)-4-chloro-thiophene-3-carbonitrile Formula: C16H14ClNOS2 MolecularWeight: 335.87146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=C(S1)C(=O)C2=CC=CC=C2)Cl)C#N

Isomeric SMILES

CCCCSC1=C(C(=C(S1)C(=O)C2=CC=CC=C2)Cl)C#N

InChI

InChI=1S/C16H14ClNOS2/c1-2-3-9-20-16-12(10-18)13(17)15(21-16)14(19)11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3