(E)-3-(4-butylsulfonylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-butylsulfonylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-butylsulfonylphenyl)-N-[4-(4-pyridyl)thiazol-2-yl]prop-2-enamide CAS Name: (E)-3-(4-butylsulfonylphenyl)-N-(4-pyridin-4-yl-2-thiazolyl)-2-propenamide IUPAC Name: (E)-3-(4-butylsulfonylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-butylsulfonylphenyl)-N-[4-(4-pyridyl)thiazol-2-yl]acrylamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)NC2=NC(=CS2)C3=CC=NC=C3

Isomeric SMILES

CCCCS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=NC(=CS2)C3=CC=NC=C3

InChI

InChI=1S/C21H21N3O3S2/c1-2-3-14-29(26,27)18-7-4-16(5-8-18)6-9-20(25)24-21-23-19(15-28-21)17-10-12-22-13-11-17/h4-13,15H,2-3,14H2,1H3,(H,23,24,25)/b9-6+