5-methylsulfanyl-7-propan-2-yl-1-benzothiophene-4-carbonitrile

Systemtic Name: 5-methylsulfanyl-7-propan-2-yl-1-benzothiophene-4-carbonitrile Openeye Name: 7-isopropyl-5-methylsulfanyl-benzothiophene-4-carbonitrile CAS Name: 5-(methylthio)-7-propan-2-yl-1-benzothiophene-4-carbonitrile IUPAC Name: 5-methylsulfanyl-7-propan-2-yl-1-benzothiophene-4-carbonitrile Traditional Name: 7-isopropyl-5-(methylthio)benzothiophene-4-carbonitrile Formula: C13H13NS2 MolecularWeight: 247.37902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C2=C1SC=C2)C#N)SC

Isomeric SMILES

CC(C)C1=CC(=C(C2=C1SC=C2)C#N)SC

InChI

InChI=1S/C13H13NS2/c1-8(2)10-6-12(15-3)11(7-14)9-4-5-16-13(9)10/h4-6,8H,1-3H3