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

Systemtic Name: 1-(3,4-diethoxyphenyl)-N-[3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(3,4-diethoxyphenyl)methanimine CAS Name: 1-(3,4-diethoxyphenyl)-N-[3-phenyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(3,4-diethoxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-phenyl-1,2,4-triazol-4-yl]-(3,4-diethoxybenzylidene)amine Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NN2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=N/N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C26H26N4O2S/c1-3-31-23-16-15-21(17-24(23)32-4-2)18-27-30-25(22-13-9-6-10-14-22)28-29-26(30)33-19-20-11-7-5-8-12-20/h5-18H,3-4,19H2,1-2H3/b27-18+