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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(p-tolylthio)propionamide Formula: C20H22N2OS2 MolecularWeight: 370.53148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=C(C=C3)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N2OS2/c1-13-3-6-15(7-4-13)24-10-9-19(23)22-20-17(12-21)16-8-5-14(2)11-18(16)25-20/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,22,23)