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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2-pyrimidylthio)propionamide Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=NC=CC=N3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=NC=CC=N3)C#N

InChI

InChI=1S/C16H16N4OS2/c17-10-12-11-4-1-2-5-13(11)23-15(12)20-14(21)6-9-22-16-18-7-3-8-19-16/h3,7-8H,1-2,4-6,9H2,(H,20,21)