N-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine

Systemtic Name: N-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Openeye Name: N-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine CAS Name: N-[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine IUPAC Name: N-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Traditional Name: (E)-[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C17H13N5O4S MolecularWeight: 383.38122

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NN=C(N1/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4

InChI

InChI=1S/C17H13N5O4S/c1-27-17-20-19-16(11-5-3-2-4-6-11)21(17)18-9-12-7-14-15(26-10-25-14)8-13(12)22(23)24/h2-9H,10H2,1H3/b18-9+