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

Systemtic Name: 1-(4-butoxyphenyl)-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-(4-butoxyphenyl)methanimine CAS Name: 1-(4-butoxyphenyl)-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-(4-butoxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-phenyl-1,2,4-triazol-4-yl]-(4-butoxybenzylidene)amine Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NN2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4OS/c1-2-3-18-31-24-16-14-21(15-17-24)19-27-30-25(23-12-8-5-9-13-23)28-29-26(30)32-20-22-10-6-4-7-11-22/h4-17,19H,2-3,18,20H2,1H3/b27-19+