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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=NC=NC(=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=NC=NC(=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H20N4OS2/c23-13-17-16-8-4-5-9-19(16)29-22(17)26-20(27)10-11-28-21-12-18(24-14-25-21)15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11H2,(H,26,27)