(E)-1-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-chloranyl-1,2,3-triazol-4-yl]-3-(methoxymethylamino)prop-2-en-1-one

Systemtic Name: (E)-1-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-chloranyl-1,2,3-triazol-4-yl]-3-(methoxymethylamino)prop-2-en-1-one Openeye Name: (E)-1-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-chloro-triazol-4-yl]-3-(methoxymethylamino)prop-2-en-1-one CAS Name: (E)-1-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-chloro-4-triazolyl]-3-(methoxymethylamino)-2-propen-1-one IUPAC Name: (E)-1-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-chlorotriazol-4-yl]-3-(methoxymethylamino)prop-2-en-1-one Traditional Name: (E)-1-[1-[3,5-bis(trifluoromethyl)benzyl]-5-chloro-triazol-4-yl]-3-(methoxymethylamino)prop-2-en-1-one Formula: C16H13ClF6N4O2 MolecularWeight: 442.743439

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Descriptors Computed from Structure

Canonical SMILES:

COCNC=CC(=O)C1=C(N(N=N1)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl

Isomeric SMILES

COCN/C=C/C(=O)C1=C(N(N=N1)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl

InChI

InChI=1S/C16H13ClF6N4O2/c1-29-8-24-3-2-12(28)13-14(17)27(26-25-13)7-9-4-10(15(18,19)20)6-11(5-9)16(21,22)23/h2-6,24H,7-8H2,1H3/b3-2+