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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-diphenyl-propanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,2-diphenyl-propanamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-diphenylpropanamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-diphenylpropanamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,2-diphenyl-propionamide Formula: C25H24N2OS MolecularWeight: 400.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2OS/c1-17-13-14-20-21(16-26)23(29-22(20)15-17)27-24(28)25(2,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17H,13-15H2,1-2H3,(H,27,28)