(E)-3-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-chloro-3-methyl-benzothiophen-2-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(5-chloro-3-methyl-benzothiophen-2-yl)-2-tosyl-acrylonitrile Formula: C19H14ClNO2S2 MolecularWeight: 387.90296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(C3=C(S2)C=CC(=C3)Cl)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(C3=C(S2)C=CC(=C3)Cl)C)/C#N

InChI

InChI=1S/C19H14ClNO2S2/c1-12-3-6-15(7-4-12)25(22,23)16(11-21)10-19-13(2)17-9-14(20)5-8-18(17)24-19/h3-10H,1-2H3/b16-10+