N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrimidin-2-ylsulfanyl-butanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrimidin-2-ylsulfanyl-butanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-pyrimidin-2-ylsulfanyl-butanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-pyrimidinylthio)butanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrimidin-2-ylsulfanylbutanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-pyrimidylthio)butyramide Formula: C17H18N4OS2 MolecularWeight: 358.48102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC=CC=N3

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC=CC=N3

InChI

InChI=1S/C17H18N4OS2/c1-2-13(24-17-19-8-5-9-20-17)15(22)21-16-12(10-18)11-6-3-4-7-14(11)23-16/h5,8-9,13H,2-4,6-7H2,1H3,(H,21,22)