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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(SC3=C2CCCC3)C#N)C)C=C(C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=C(SC3=C2CCCC3)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)24-21-10-6-7-11-22(21)28-23(24)15-26/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3/b20-13+