1-(4-ethoxy-3-nitro-phenyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(4-ethoxy-3-nitro-phenyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-ethoxy-3-nitro-phenyl)methanimine CAS Name: 1-(4-ethoxy-3-nitrophenyl)-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-ethoxy-3-nitrophenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-(4-ethoxy-3-nitro-benzylidene)amine Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O3S/c1-3-27-18-10-9-16(11-17(18)24(25)26)12-20-23-14(2)21-22-19(23)28-13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3/b20-12+