(E)-2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(4-butylphenyl)thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(4-butylphenyl)-2-thiazolyl]-3-(3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(4-butylphenyl)thiazol-2-yl]-3-(3-nitrophenyl)acrylonitrile Formula: C22H19N3O2S MolecularWeight: 389.47016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=N2)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H19N3O2S/c1-2-3-5-16-8-10-18(11-9-16)21-15-28-22(24-21)19(14-23)12-17-6-4-7-20(13-17)25(26)27/h4,6-13,15H,2-3,5H2,1H3/b19-12+