1-(5-nitro-2-phenylsulfanyl-phenyl)-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-(5-nitro-2-phenylsulfanyl-phenyl)-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-(5-nitro-2-phenylsulfanyl-phenyl)-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[5-nitro-2-(phenylthio)phenyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-(5-nitro-2-phenylsulfanylphenyl)-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-[5-nitro-2-(phenylthio)benzylidene]-(1,2,4-triazol-4-yl)amine Formula: C15H11N5O2S MolecularWeight: 325.34514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NN3C=NN=C3

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])/C=N/N3C=NN=C3

InChI

InChI=1S/C15H11N5O2S/c21-20(22)13-6-7-15(23-14-4-2-1-3-5-14)12(8-13)9-18-19-10-16-17-11-19/h1-11H/b18-9+