2-[3-(2-cyano-2-phenyl-ethenyl)-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[3-(2-cyano-2-phenyl-ethenyl)-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[3-(2-cyano-2-phenyl-vinyl)-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[3-(2-cyano-2-phenylethenyl)-2,5-dimethyl-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[3-(2-cyano-2-phenylethenyl)-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[3-(2-cyano-2-phenyl-vinyl)-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C24H21N3S MolecularWeight: 383.50864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C(C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C(C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3S/c1-16-12-19(13-20(14-25)18-8-4-3-5-9-18)17(2)27(16)24-22(15-26)21-10-6-7-11-23(21)28-24/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3