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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(6-methyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(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)SCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS2/c1-11-8-16(20-10-19-11)23-7-6-15(22)21-17-13(9-18)12-4-2-3-5-14(12)24-17/h8,10H,2-7H2,1H3,(H,21,22)