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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS2/c1-14(28-20-11-18(24-13-25-20)15-7-3-2-4-8-15)21(27)26-22-17(12-23)16-9-5-6-10-19(16)29-22/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,26,27)