3-[(4-methylphenyl)amino]butanethial; 2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: 3-[(4-methylphenyl)amino]butanethial; 2,2,2-tris(fluoranyl)ethanamide Openeye Name: 3-(4-methylanilino)butanethial; 2,2,2-trifluoroacetamide CAS Name: 3-(4-methylanilino)butanethial; 2,2,2-trifluoroacetamide IUPAC Name: 3-(4-methylanilino)butanethial; 2,2,2-trifluoroacetamide Traditional Name: 3-(p-toluidino)thiobutyraldehyde; 2,2,2-trifluoroacetamide Formula: C13H17F3N2OS MolecularWeight: 306.34709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(C)CC=S.C(=O)(C(F)(F)F)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(C)CC=S.C(=O)(C(F)(F)F)N

InChI

InChI=1S/C11H15NS.C2H2F3NO/c1-9-3-5-11(6-4-9)12-10(2)7-8-13;3-2(4,5)1(6)7/h3-6,8,10,12H,7H2,1-2H3;(H2,6,7)