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

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(4-methoxy-3-nitro-phenyl)methanimine CAS Name: 1-(4-methoxy-3-nitrophenyl)-N-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(4-methoxy-3-nitrophenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-1,2,4-triazol-4-yl]-(4-methoxy-3-nitro-benzylidene)amine Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NN2C=NN=C2SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/N2C=NN=C2SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c1-25-16-8-7-14(9-15(16)22(23)24)10-19-21-12-18-20-17(21)26-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/b19-10+