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

Systemtic Name: 3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4OS2/c1-12-4-5-15-17(11-23)21(28-18(15)8-12)25-19(26)6-7-27-20-16(10-22)13(2)9-14(3)24-20/h9,12H,4-8H2,1-3H3,(H,25,26)