3-[[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]azepin-2-imine

Systemtic Name: 3-[[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]azepin-2-imine Openeye Name: 3-[[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]azepin-2-imine CAS Name: 3-[[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-azepinimine IUPAC Name: 3-[[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]azepin-2-imine Traditional Name: [3-[[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]azepin-2-ylidene]amine Formula: C16H12F3N5 MolecularWeight: 331.29519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(F)(F)F)CC3=CC=CC=NC3=N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(F)(F)F)CC3=CC=CC=NC3=N

InChI

InChI=1S/C16H12F3N5/c17-16(18,19)15-22-13(10-11-6-4-5-9-21-14(11)20)24(23-15)12-7-2-1-3-8-12/h1-9,20H,10H2