3-azanyl-4-cyano-5-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

Systemtic Name: 3-azanyl-4-cyano-5-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide Openeye Name: 5-(allylamino)-3-amino-4-cyano-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide CAS Name: 3-amino-4-cyano-5-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]-2-thiophenecarboxamide IUPAC Name: 3-amino-4-cyano-5-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide Traditional Name: 5-(allylamino)-3-amino-4-cyano-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide Formula: C16H13F3N4OS MolecularWeight: 366.36083

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=C(S1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)N)C#N

Isomeric SMILES

C=CCNC1=C(C(=C(S1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)N)C#N

InChI

InChI=1S/C16H13F3N4OS/c1-2-6-22-15-11(8-20)12(21)13(25-15)14(24)23-10-5-3-4-9(7-10)16(17,18)19/h2-5,7,22H,1,6,21H2,(H,23,24)