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

Systemtic Name: 1-(4-nitrophenyl)-N-[3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-nitrophenyl)methanimine CAS Name: 1-(4-nitrophenyl)-N-[3-phenyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-nitrophenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-phenyl-1,2,4-triazol-4-yl]-(4-nitrobenzylidene)amine Formula: C22H17N5O2S MolecularWeight: 415.46768

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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-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2/N=C/C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H17N5O2S/c28-27(29)20-13-11-17(12-14-20)15-23-26-21(19-9-5-2-6-10-19)24-25-22(26)30-16-18-7-3-1-4-8-18/h1-15H,16H2/b23-15+