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

Systemtic Name: 1-(3-nitrophenyl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3-nitrophenyl)methanimine CAS Name: 1-(3-nitrophenyl)-N-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3-nitrophenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-1,2,4-triazol-4-yl]-(3-nitrobenzylidene)amine Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=CN2N=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=CN2/N=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O2S/c22-21(23)15-8-4-7-14(9-15)10-18-20-12-17-19-16(20)24-11-13-5-2-1-3-6-13/h1-10,12H,11H2/b18-10+