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

Systemtic Name: (E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-diphenyl-prop-2-enamide Openeye Name: (E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,3-diphenyl-prop-2-enamide CAS Name: (E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-diphenyl-2-propenamide IUPAC Name: (E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-diphenylprop-2-enamide Traditional Name: (E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,3-diphenyl-acrylamide Formula: C25H22N2OS MolecularWeight: 398.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(=CC3=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/C25H22N2OS/c1-17-12-13-20-22(16-26)25(29-23(20)14-17)27-24(28)21(19-10-6-3-7-11-19)15-18-8-4-2-5-9-18/h2-11,15,17H,12-14H2,1H3,(H,27,28)/b21-15+