1-(3-nitro-4-phenylsulfanyl-phenyl)-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-(3-nitro-4-phenylsulfanyl-phenyl)-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-(3-nitro-4-phenylsulfanyl-phenyl)-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[3-nitro-4-(phenylthio)phenyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-(3-nitro-4-phenylsulfanylphenyl)-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-[3-nitro-4-(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)C=NN3C=NN=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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