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

Systemtic Name: 1-(4-ethoxy-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-ethoxy-3-nitro-phenyl)methanimine CAS Name: 1-(4-ethoxy-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-ethoxy-3-nitrophenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-1,2,4-triazol-4-yl]-(4-ethoxy-3-nitro-benzylidene)amine Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NN2C=NN=C2SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=N/N2C=NN=C2SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c1-2-26-17-9-8-15(10-16(17)23(24)25)11-20-22-13-19-21-18(22)27-12-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3/b20-11+