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

Systemtic Name: (2S)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: (2S)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(6-methyl-4-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: (2S)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(6-methylpyrimidin-4-yl)thio]propionamide Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SC(C)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC1=CC(=NC=N1)S[C@@H](C)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C17H18N4OS2/c1-10-7-15(20-9-19-10)23-11(2)16(22)21-17-13(8-18)12-5-3-4-6-14(12)24-17/h7,9,11H,3-6H2,1-2H3,(H,21,22)/t11-/m0/s1