1-(4-nitrophenyl)-N-[3-(phenylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(4-nitrophenyl)-N-[3-(phenylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-[3-benzylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine CAS Name: 1-(4-nitrophenyl)-N-[3-(phenylmethylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-[3-benzylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-(4-nitrobenzylidene)amine Formula: C17H12F3N5O2S MolecularWeight: 407.36969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2N=CC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2/N=C/C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H12F3N5O2S/c18-17(19,20)15-22-23-16(28-11-13-4-2-1-3-5-13)24(15)21-10-12-6-8-14(9-7-12)25(26)27/h1-10H,11H2/b21-10+