(E)-N-(2-aminophenyl)-3-[4-(quinolin-2-ylsulfanylmethyl)phenyl]prop-2-enamide

Systemtic Name: (E)-N-(2-aminophenyl)-3-[4-(quinolin-2-ylsulfanylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-N-(2-aminophenyl)-3-[4-(2-quinolylsulfanylmethyl)phenyl]prop-2-enamide CAS Name: (E)-N-(2-aminophenyl)-3-[4-[(2-quinolinylthio)methyl]phenyl]-2-propenamide IUPAC Name: (E)-N-(2-aminophenyl)-3-[4-(quinolin-2-ylsulfanylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-N-(2-aminophenyl)-3-[4-[(2-quinolylthio)methyl]phenyl]acrylamide Formula: C25H21N3OS MolecularWeight: 411.51874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=C(C=C3)C=CC(=O)NC4=CC=CC=C4N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=C(C=C3)/C=C/C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C25H21N3OS/c26-21-6-2-4-8-23(21)27-24(29)15-13-18-9-11-19(12-10-18)17-30-25-16-14-20-5-1-3-7-22(20)28-25/h1-16H,17,26H2,(H,27,29)/b15-13+