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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3-cyano-6-phenyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-cyano-6-phenylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(3-cyano-6-phenyl-2-pyridyl)thio]propionamide Formula: C25H22N4OS2 MolecularWeight: 458.59838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H22N4OS2/c1-16-7-9-19-20(15-27)25(32-22(19)13-16)29-23(30)11-12-31-24-18(14-26)8-10-21(28-24)17-5-3-2-4-6-17/h2-6,8,10,16H,7,9,11-13H2,1H3,(H,29,30)