3-[3-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(3-chloro-4-fluoro-phenyl)sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[(3-chloro-4-fluorophenyl)thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(3-chloro-4-fluoro-phenyl)thio]acetyl]indol-1-yl]propionitrile Formula: C19H14ClFN2OS MolecularWeight: 372.843663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)CSC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)CSC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H14ClFN2OS/c20-16-10-13(6-7-17(16)21)25-12-19(24)15-11-23(9-3-8-22)18-5-2-1-4-14(15)18/h1-2,4-7,10-11H,3,9,12H2