3-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]indol-3-yl]-2-cyano-prop-2-enethioamide

Systemtic Name: 3-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]indol-3-yl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[1-[(2-chloro-4-fluoro-phenyl)methyl]indol-3-yl]-2-cyano-prop-2-enethioamide CAS Name: 3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-indolyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[1-(2-chloro-4-fluoro-benzyl)indol-3-yl]-2-cyano-thioacrylamide Formula: C19H13ClFN3S MolecularWeight: 369.843023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=C(C=C(C=C3)F)Cl)C=C(C#N)C(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=C(C=C(C=C3)F)Cl)C=C(C#N)C(=S)N

InChI

InChI=1S/C19H13ClFN3S/c20-17-8-15(21)6-5-12(17)10-24-11-14(7-13(9-22)19(23)25)16-3-1-2-4-18(16)24/h1-8,11H,10H2,(H2,23,25)